2012 Corporate Capabilities - Spectroscopy

Volume 26 Number 12 SPECTROSCOPY CORPORATE CAPABILITIES ISSUE December 2011 

December 2011 Volume 26 Number 12 

® 

www.spectroscopyonline.com 

2012 Corporate 

Capabilities 

Online FT-IR Spectroscopy 

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2011 Editorial Index 

Application Notes ♦ See page 93

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EVENT OVERVIEW: 

Atomic Absorption (AA) has been a routine trace elemental 

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appearance of microwave induced plasma spectroscopy 

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coupled plasma spectrometers (ICP-OES), has the day 

come when AA is ready to be replaced by faster analysis 

techniques? 

Key Learning Objectives: 

n Understand the cost base and 

comparative capabilities of AA, ICP, and 

Microwave Induced Plasma Spectroscopy 

(MIPS) 

n Get insight into the future prospects for AA 

n Gain a greater degree of clarity about 

the analytical roadmap available for your 

laboratory following the introduction of 

MIPS into the market 

The web seminar will compare these three technique 

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Moderator: 

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Spectroscopy 

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4 Spectroscopy 26(12) December 2011 


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® 

CONTENTS 

Columns 


Volume 26 Number 12 

DECEMBER 2011 

December 2011 

Volume 26 Number 12 

THE BASELINE 10 

Maxwell’s Equations, Part IV 

A discussion of magnetism, leading into Maxwell’s second equation 

David W. Ball 

FOCUS ON QUALITY 14 

USP and the GAMP Guide on Laboratory 

Computerized Systems — Is Integration Possible? 

Here’s what needs to be done to harmonize these two documents. 

R.D. McDowall and C. Burgess 

Articles 

Temporary Online FT-IR Spectroscopy for Process 21 

Characterization in the Chemical Industry 

Case studies involving fouling and product quality illustrate the effective use of this method. 

Serena Stephenson, Lamar Dewald, Esteban Baquero, Wendy Flory, Liane Mikolajczyk, and J.D. Tate 

Cover image courtesy of 

Frederic Cirou/Getty Images. 

2011 Editorial Index 26 

Spectroscopy presents its annual index of authors and articles. 

ON THE WEB 

FREE WEB SEMINARS 

Is AA Dead? Or Is ICP/MIPS the Future 

for QA–QC Analysis? 

Adrian Holley, Thermo Fisher Scientific 

Raman Spectroscopy for 

Pharmaceutical Product Development 

and Manufacturing 

Dimuthu Jayawickrama, Senior Research 

Investigator, Bristol-Myers Squibb 

Raman Spectroscopy and Imaging 

in Biomedical Research 

Igor Chourpa, Professor of Analytical 

Chemistry, University of Tours (France) 

RF-GD-OES for Depth Profile Analysis: 

A Complementary Technique to SIMS 

Fuhe Li, Air Liquide–Balazs NanoAnalysis 

spectroscopyonline.com/webseminars 

INTERVIEW: MID-IR IMAGING 

In a new interview, Rohit Bhargava of the 

University of Illinois explains the theory of 

resolution in mid-IR imaging. 

spectroscopyonline.com/imagingtheory 

Join the 

Spectroscopy Group 

on LinkedIn 

Application Notes: Mass Spectrometry 

Simultaneous Qualitative and Quantitative Analysis of Buspirone 93 

and Its Metabolites with the Agilent 6550 iFunnel Q-TOF LC–MS System 

Yuqin Dai, Michael Flanagan, and Keith Waddell, Agilent Technologies, Inc. 

Application Notes: Molecular Spectroscopy 

Long-Wavelength Dispersive 1064 nm Raman: 94 

In-Line Pharmaceutical Compound Identification 

Clare Dentinger, Steven Pullins, and Eric Bergles, BaySpec, Inc. 

Determination of Low Concentration Methanol in Alcohol by 95 

an Affordable High Sensitivity Raman Instrument 

Duyen Nguyen and Eric Wu, Enwave Optronics, Inc. 

Optical Compensation in Variable Angle Transmission 96 

Measurements of Thick Samples 

S. L. Berets, Harrick Scientific Products, and M. Milosevic, MeV Consulting 

Near Infrared Spectroscopy Is a Useful Tool 97 

in Photovoltaics Panel Development 

Rob Morris and Andrew Tatsch, Ocean Optics 

Mid-Infrared Reflectivity Measurements of Diffuse Materials 98 

Jenni L. Briggs, PIKE Technologies 

Spectroscopy (ISSN 0887-6703 [print], ISSN 1939-1900 [digital]) is published monthly by Advanstar Communications, Inc., 

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www.spectroscopyonline.com December 2011 26(12) Spectroscopy 7 

December 2011 Volume 26 Number 12 

2012 Corporate Capabilities 

36 1st Detect Corp. 

37 Agilent Technologies, Inc. 

38 ABB Analytical Measurements 

40 Amptek, Inc. 

42 Andor Technology 

43 Applied Photophysics 

44 Avantes, Inc. 

45 B&W Tek, Inc. 

46 Bruker Daltonics 

48 Bruker Corporation 

49 CVI Melles Griot 

50 EDAX, Inc. 

52 Edinburgh Instruments 

53 Energetiq Technology, Inc. 

54 Enwave Optronics, Inc. 

55 Hamamatsu Corporation 

56 Glass Expansion 

58 Harrick Scientific Products, Inc. 

59 Hellma USA, Inc. 

60 HORIBA Scientific 

61 International Centre for 

Diffraction Data 

62 Iridian Spectral Technologies Ltd. 

64 International Crystal 

Laboratories 

65 Meinhard 

66 Moxtek, Inc. 

68 Milestone Inc. 

69 Nippon Instruments 

North America 

70 Ocean Optics 

72 OI Analytical 

73 OptiGrate Corp. 

74 Optometrics Corporation 

75 Oriel Instruments 

76 Parker Hannifin Corporation 

Filtration and Separation Division 

77 Photonis USA 

78 PerkinElmer, Inc. 

80 PerkinElmer, Inc. 

82 PIKE Technologies 

84 Polymicro Technologies, 

A subsidiary of Molex Incorporated 

85 Rigaku Corporation 

86 Shimadzu Scientific Instruments 

88 SPEX CertiPrep 

89 Teledyne Leeman Labs 

90 Thermo Fisher Scientific 

91 Waters Corporation 

92 WITec GmbH



Editorial Advisory Board 

Ramon M. Barnes University of Massachusetts 

Paul N. Bourassa Unity Home Medical 

Deborah Bradshaw Consultant 

Kenneth L. Busch Wyvern Associates 

Ashok L. Cholli University of Massachusetts at Lowell 

David M. Coleman Wayne State University 

Bruce Hudson Syracuse University 

David Lankin University of Illinois at Chicago, College of Pharmacy 

Barbara S. Larsen DuPont Central Research and Development 

Ian R. Lewis Kaiser Optical Systems 

Jeffrey Hirsch Thermo Fisher Scientific 

Howard Mark Mark Electronics 

R.D. McDowall McDowall Consulting 

Gary McGeorge Bristol-Myers Squibb 

Linda Baine McGown Rensselaer Polytechnic Institute 

Robert G. Messerschmidt Rare Light, Inc. 

Francis M. Mirabella Jr. Mirabella Practical Consulting Solutions, Inc. 

John Monti Montgomery College 

Thomas M. Niemczyk University of New Mexico 

Anthony J. Nip CambridgeSoft Corp. 

John W. Olesik The Ohio State University 

Richard J. Saykally University of California, Berkeley 

Jerome Workman Jr. Unity Scientific 

Contributing Editors: 

Fran Adar Horiba Jobin Yvon 

David W. Ball Cleveland State University 

Kenneth L. Busch Wyvern Associates 

Howard Mark Mark Electronics 

Volker Thomsen Consultant 

Jerome Workman Jr. Unity Scientific 

Process Analysis Advisory Panel: 

James M. Brown Exxon Research and Engineering Company 

Bruce Buchanan Sensors-2-Information 

Lloyd W. Burgess CPAC, University of Washington 

James Rydzak Glaxo SmithKline 

Robert E. Sherman CIRCOR Instrumentation Technologies 

John Steichen DuPont Central Research and Development 

D. Warren Vidrine Vidrine Consulting 

European Regional Editors: 

John M. Chalmers VSConsulting, United Kingdom 

David A.C. Compton Industrial Chemicals Ltd. 

Spectroscopy’s Editorial Advisory Board is a group of distinguished individuals 

assembled to help the publication fulfill its editorial mission to promote the effective 

use of spectroscopic technology as a practical research and measurement tool. 

With recognized expertise in a wide range of technique and application areas, board 

members perform a range of functions, such as reviewing manuscripts, suggesting 

authors and topics for coverage, and providing the editor with general direction and 

feedback. We are indebted to these scientists for their contributions to the publication 

and to the spectroscopy community as a whole. 

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News Spectrum 

New Website for PIKE 

PIKE Technologies (Madison, Wisconsin) debuted a new 

company website, www.piketech.com in October. The company, 

which manufacturers sampling accessories for Fourier-transform 

infrared (FT-IR), near infrared, and ultraviolet–visible (UV–vis) 

spectrometers, offers a list of all PIKE products, information 

about spectroscopy theory and sampling techniques, multiple 

application notes, and other technology and industry-related 

details on its website. 

The PIKE home page provides an interactive infrared 

crystal properties chart and an FT-IR calculator for wavelength 

conversions, sample thickness, and average true range 

calculations. The website’s search function generates product 

information, and there is an online form available for order 

placement and quote requests. 

Sabine Becker Wins the 2012 

Winter Conference Award in 

Plasma Spectrochemistry 

J. Sabine Becker, the head of trace and ultratrace analysis in 

the Central Division of Analytical Chemistry at the Research 

Center Juelich, in Juelich, Germany, has won the 2012 Winter 

Conference Award in Plasma Spectrochemistry, sponsored by 

Thermo Fisher Scientific (San Jose, California). Thermo Fisher will 

present the award and a check for $5000 to Becker during the 

2012 Winter Conference on Plasma Spectrochemistry, to be held 

in Tucson, Arizona, January 9–14, 2012. 

December 2011 Spectroscopy 26(12) 9 

Becker’s career in analytical chemistry has focused 

on long-lived radionuclides, ultratrace and high-purity 

materials analysis, isotope ratio measurements, and 

micro- and nanolocal elemental and trace analyses. 

Recently she established BrainMet, an Analytical Center 

of Excellence at the Research Centre Juelich for brain 

research imaging. Based on laser ablation inductively 

coupled plasma mass spectrometry (LA-ICP-MS), 

BrainMet has introduced novel imaging techniques for 

metals, metalloids, and nonmetals in biological tissues. 

The approach provides quantitative mapping of essential 

and toxic elements in thin sections of diseased and 

healthy medical and biological tissue sections. 

The Winter Conference Award in Plasma Spectrochemistry, 

established in 2009, recognizes scientists who have 

made noteworthy contributions over time or through a 

single, significant breakthrough. The award acknowledges 

achievements in the conceptualization and development 

of novel instrumentation as well as the elucidation of 

fundamental events or processes involved in plasma 

spectrochemistry. Winners include authors of significant 

research papers or books that influence new advancements 

or pioneers of outstanding new applications that benefit the 

field of plasma spectrochemistry. 

Applications for the next Winter Plasma Award in 2014 may 

be submitted until December 31, 2012. Further information is 

available at www.thermoscientific.com/wpcaward. ◾ 

Market Profile: Microvolume UV–vis Spectroscopy 

Microvolume UV–vis is a relatively new segment of 

the UV–vis spectroscopy market that has seen very 

rapid development. There are a variety of purpose-built 

microvolume instruments as well as adaptor accessories 

now on the market, most of which are designed for 

bioanalysis applications. Several major instrument 

vendors compete in the market, although Thermo 

Scientific still dominates. 

Microvolume UV–vis 

spectrophotometers can analyze 

sample sizes of under 5 μL, and 

in some cases, as small as 0.5 

μL. There are now a variety of 

microvolume UV–vis instruments 

on the market that are specifically 

designed for the analysis of such 

volumes. Vendors have also 

2011 microvolume UV–vis vendor share. 

developed a wide range of sampling accessories to allow 

for microvolume analysis using conventional UV–vis 

instruments. Microvolume spectroscopy was developed 

largely to address the needs of those performing 

bioanalysis, including the quantitation of DNA, RNA, and 

proteins. The conservation of samples is often a major 

issue for these end-users. 

7% 10% Shimadzu 

12% 

71% 

GE Life Sciences 

Other 

The market for microvolume UV–vis is expected to 

be near $80 million for 2011. Despite broad economic 

headwinds coming in 2012, demand for microvolume 

UV–vis should continue to grow due to the expansion of 

the biotechnology and clinical analysis industries, as well as 

the continued adoption of the technique. Thermo Scientific, 

which acquired the first major developer of microvolume 

spectrophotometers, Nanodrop, 

is the strong leader in the market. 

Thermo Scientific 

Shimadzu and GE Healthcare are the 

other two major competitors. Several 

smaller vendors have since developed 

their own versions of dedicated 

microvolume instruments. 

The foregoing data were based 

on SDi’s market analysis and 

perspectives report entitled Global 

Assessment Report, 11th Edition: The Laboratory Life 

Science and Analytical Instrument Industry, October 

2010. For more information, contact Stuart Press, Vice 

President — Strategic Analysis, Strategic Directions 

International, Inc., 6242 Westchester Parkway, Suite 100, 

Los Angeles, CA 90045, (310) 641-4982, fax: (310) 

641-8851, www.strategic-directions.com.

10 Spectroscopy 26(12) December 2011 www.spectroscopyonline.com 

The Baseline 

Maxwell’s Equations, Part IV 

The fourth part of this series continues our explanation of Maxwell’s equations, the seminal classical 

explanation of electricity and magnetism (and, ultimately, light). For those of you new to the 

series, consider reading the last few appearances of this column to get caught up. Alternately, you 

can find past columns on our website: www.spectroscopyonline.com/The+Baseline+Column. Words 

of warning: For my own reasons, the figures are being numbered sequentially through this series, 

which is why the first figure in this column is Figure 26. Also, we’re going to get a bit mathematical. 

Unfortunately, that’s par for the course. 

David W. Ball 

Amagnet is any object that produces a magnetic 

field. That’s a rather circular definition (and 

saying such is a bit of a pun, when you understand 

Maxwell’s equations), but it is a functional one: 

A magnet is most simply defined by how it functions. 

Technically speaking, all matter is affected by magnets. 

It’s just that some objects are affected more than 

others and we tend to define magnetism in terms of 

the more obvious behavior. An object is magnetic if it 

attracts certain metals such as iron, nickel, or cobalt 

and if it attracts and repels (depending on its orientation) 

other magnets. The earliest magnets occurred 

naturally and were called lodestones, a name that 

apparently comes from the Middle English “leading 

stone,” suggesting an early recognition of the rock’s 

ability to point in a certain direction when suspended 

freely. By the way, lodestone is simply a magnetic 

form of magnetite, an ore whose name comes from 

the Magnesia region of Greece, which is itself a part of 

Thessaly in central eastern Greece bordering the Aegean 

Sea. Magnetite’s chemical formula is Fe 3 

O 4 

, and 

it is actually a mixed FeO–Fe 2 

O 3 

mineral. Magnetite 

itself is not uncommon, although the permanently 

magnetized form is, and how it becomes permanently 

magnetized is still an open question. (The chemists 

among us also recognize Magnesia as giving its name 

to the element magnesium. Ironically, the magnetic 

properties of Mg are about 1/5000 that of Fe.) 

Magnets work by setting up a magnetic field. What 

actually is a magnetic field? To be honest, I’m not 

sure I can really say, but its effects can be measured 

all around the magnet. It turns out that these effects 

exert forces that have magnitude and direction: That 

is, the magnetic field is a vector field. These forces are 

most easily demonstrated by objects that either have a 

magnetic field themselves or have an electrical charge 

on them, as the exerted force accelerates (changes 

the magnitude and direction of the velocity of) the 

charge. The magnetic field of a magnet is represented 

as B and, again, is a vector field. (The symbol H is also 

used to represent a magnetic field, although in some 

circumstances there are some subtle differences between 

the definition of the B field and the definition 

of the H field. Here, we will use B.) 

Faraday’s Lines of Force 

When Michael Faraday was investigating magnets 

starting in the early 1830s, he invented a description 

that was used to visualize magnets’ actions: lines of 

force. There is some disagreement whether Faraday 

thought of these lines as caused by the emanation 

of discrete particles or not, but no matter. The lines



of force are those things that are 

visualized when fine iron filings 

are sprinkled over a sheet of paper 

that is placed over a bar magnet, 

as shown in Figure 26. The filings 

show some distinct “lines” 

in which the iron pieces collect, 

although this is more of a physical 

effect than a representation of 

a magnetic field. There are several 

things that can be noted from the 

positions of the iron filings in 

Figure 26. First, the field seems to 

emanate from two points in the 

figure, where the iron filings are 

most concentrated. These points 

represent poles of the magnet. Second, 

the field lines exist not only 

between the poles, but arc above 

and below the poles in the plane of 

the figure. If this figure extended 

to infinity in any direction, you 

would still see evidence — albeit 

less and less as you proceed farther 

away from the magnet — of 

the magnetic field. Third, the 

strength of the field is indicated 

by the density of lines in any given 

space — the field is stronger near 

the poles and directly between the 

poles, and the field is weaker farther 

away from the poles. Finally, 

we note that the magnetic field is 

three-dimensional. Although most 

of the figure shows iron filings on a 

flat plane, around the two poles the 

iron filings are definitely out of the 

plane of the figure, pointing up. 

(The force of gravity is keeping the 

filings from piling too high, but the 

visual effect is obvious.) For the 

sake of convention, the lines are 

thought of as “coming out” of the 

north pole of a magnet and “going 

into” the south pole of the magnet, 

although in Figure 26 the poles are 

not labeled. 

Faraday was able to use the concept 

of lines of force to explain 

attraction and repulsion by two 

different magnets. He argued that 

when the lines of force from opposite 

poles of two magnets interacted, 

they joined together in 

such a way as to try to force the 

poles together, accounting for the 

attraction of opposites (Figure 

Figure 26: Photographic representation of magnetic lines of force. Here, a magnetic stir bar was 

placed under a sheet of paper and fine iron filings were carefully sprinkled onto the paper. While 

the concept of lines of force is a useful one, magnetic fields are continuous and are not broken 

down into discrete lines like pictured here. (Photo by author, with assistance from Dr. Royce W. 

Beal, Mr. Randy G. Ramsden, and Dr. James Rohrbough of the US Air Force Academy Department 

of Chemistry). 

(a) 

Figure 27: Faraday used the concept of magnetic lines of force to describe attraction and 

repulsion. (a) When opposite poles of two magnets interact, the lines of force combine to force 

the two poles together, causing attraction. (b) When like poles of two magnets interact, the lines 

of force resist each other, causing repulsion. 

27a). However, if lines of force 

from similar poles of two magnets 

interacted, they interfered with 

each other in such a way as to 

repel (Figure 27b). Thus, the lines 

of force were useful constructs to 

describe the known behavior of 

magnets. 

Faraday also could use the lines 

of force concept to explain why 

some materials were attracted by 

(b) 

magnets (paramagnetic materials 

or in their extreme form called 

ferromagnetic materials) or repelled 

by magnets (diamagnetic 

materials). Figure 28 illustrates 

that materials attracted by a magnetic 

field concentrate the lines 

of force inside the material, while 

materials repelled by a magnetic 

field exclude the lines of force 

from the material.


(a) 

(b) 

(c) 

Magnetic lines 

of force 

Figure 28: Faraday used the lines of force concept to explain how 

objects behave in a magnetic field. (a) Most substances (like glass, 

water, or elemental bismuth) actually slightly repel a magnetic field; 

Faraday explained that they excluded the magnetic lines of force from 

themselves. (b) Some substances (like aluminum) are slightly attracted 

to a magnetic field; Faraday suggested that they include magnetic lines of 

force into themselves. (c) Some substances (like iron) are very strongly 

attracted to a magnetic field, including (according to Faraday) a large 

density of lines of force. Such materials can be turned into magnets 

themselves under the proper conditions. 

N 

Magnet 

Hypothetical “line of force” 

Figure 29: Hypothetical line of force about a magnet. Compare this to 

the photo in Figure 26. 

As useful as these descriptions were, Faraday was 

not a theorist. He was a very phenomenological scientist 

who mastered experiments, but had little mathematical 

training with which to model his results. 

Other scientists were able to do that, some of whom 

were based in Germany and France — but the important 

contributions came from other scientists in Faraday’s 

own Great Britain. 

S 

Maxwell’s Second Equation 

Two British scientists contributed to a better theoretical 

understanding of magnetism: William Thomson 

(also known as Lord Kelvin) and James Clerk Maxwell. 

However, it was Maxwell who did the more 

complete job. 

Maxwell was apparently impressed with the concept 

of Faraday’s lines of force. In fact, the series of four papers 

in which he described what later became Maxwell’s 

equations was titled “On Physical Lines of Force.” Maxwell 

was a very geometry-oriented person; he felt that 

the behavior of the natural universe could, at the very 

least, be represented by a drawing or picture. 

Let’s consider the lines of force pictured in Figure 

26. Figure 29 shows one ideal line of force for a 

bar magnet in two dimensions. Remember that this 

is a thought experiment — a magnetic field is not 

composed of individual lines; rather, it is a continuous 

vector field. And within a vector field, the field 

lines have some direction as well as magnitude. By 

convention, the magnetic field vectors are thought of 

as emerging from the north pole of the magnet and 

entering the south pole of the magnet. This vector 

scheme allows us to apply the right-hand rule when 

describing the effects of the magnetic field on other 

objects, like charged particles and other magnetic 

phenomena. 

Consider any box around the line of force. In Figure 

29, the box is shown by the dotted rectangle. What is 

the net change of the magnetic field through the box? 

By focusing on the single line of force drawn, we can 

conclude that the net change is zero: There is one line 

entering the box on its left side, and one line leaving 

the box on its right side. This is easily seen in Figure 

29 for one line of force and in two dimensions, but 

now let’s expand our mental picture to include all 

lines of force and all three dimensions. There will always 

be the same number of lines of force going into 

any arbitrary volume about the magnet as there are 

coming out. There is no net change in the magnetic 

field in any given volume. This concept holds no matter 

how strong the magnetic field and no matter what 

size the volume considered. 

How do we express this mathematically? Why, using 

vector calculus, of course. In the previous discussion 

of Maxwell’s first law, we introduced the divergence of 

a vector function F as 

divergence of F 

F y 

F x F z 

where F Fx i F y j F z k [1] 

x y z 

Note what the divergence really is; it is the change in 

the x-dimensional value of the function F across the x 

dimension, the change in the y-dimensional value of 

the function F across the y dimension, and the change 

in the z-dimensional value of the function F across 

the z dimension. However, we have already presented 

the argument from our lines of force illustration that 

the magnetic field coming in a volume equals the 

magnetic field going out of the volume, so that there 

is no net change. Thus, using B to represent our magnetic 

field:



B x 

B y B z 

0 

[2] 

x y z 

That means that the divergence of 

B can be written as 

No 

S 

N 

div B 

B x 

B y B z 

0 

[3] 

x y z 

S 

N 

or simply 

Yes 

div B = 0 [4] 

S 

N 

S 

N 

This is Maxwell’s second equation 

of electromagnetism. It is sometimes 

called Gauss’s law for magnetism. 

Because we can also write the 

divergence as the dot product of 

the del operator (∇) with the vector 

field, Maxwell’s second equation 

becomes 

∇•B = 0 [5] 

What does Maxwell’s second 

equation mean? Because the divergence 

is an indicator of the 

presence of a source (a generator) 

or a sink (a destroyer) of a vector 

field, it implies that a magnetic 

field has no separate generator or 

destroyer points in any definable 

volume. Contrast this with an electric 

field. Electric fields are generated 

by two different particles, 

positively charged particles and 

negatively charged particles. By 

convention, electric fields begin at 

positive charges and end at negative 

charges. Because electric fields 

have explicit generators (positively 

charged particles) and destroyers 

(negatively charged particles), the 

divergence of an electric field is 

nonzero. Indeed, by Maxwell’s first 

equation, the divergence of an electric 

field E is 

E [6] 

which is zero only if the charge density, 

ρ, is zero — and if the charge 

density is not zero, then the divergence 

of the electric field also is not 

zero. Furthermore, the divergence 

can be positive or negative depending 

on whether the charge density is 

a source or a sink. 

Figure 30: If you break a magnet, you don’t get two separate magnetic poles (“monopoles,” top), 

but instead you get two magnets, each having north and south poles (bottom). This is consistent 

with Maxwell’s second law of electromagnetism. 

For magnetic fields, however, the 

divergence is exactly zero, which 

implies that there is no discrete 

source (“positive” magnetic particle) 

or sink (“negative” magnetic 

particle). One implication of that is 

that magnetic field sources are always 

dipoles; there is no such thing 

as a magnetic “monopole.” This 

mirrors our experience when we 

break a magnet in half, as shown in 

Figure 30. We don’t get two separated 

poles of the original magnet. 

Rather, we get two separate 

magnets, complete with north and 

south poles. 

In the next installment, we will 

continue our discussion of Maxwell’s 

equations and see how E and 

B are related to each other. The 

first two equations deal with E and 

B separately; we will see, however, 

that they are anything but separate. 

References 

(1) B. Baigrie, Electricity and Magnetism 

(Greenwood Press, Westport, Connecticut, 

2007). 

(2) O. Darrigol, Electrodynamics from 

Ampere to Einstein (Oxford University 

Press, 2000). 

(3) D. Halliday, R. Resnick, and J. Walker, 

Fundamentals of Physics 6th Ed. (John 

Wiley and Sons, New York, New York, 

2001). 

(4) E. Hecht, Physics (Brooks-Cole Publishing 

Co, Pacific Grove, California, 

1994). 

(5) J.E. Marsden and A.J. Tromba, Vector 

Calculus 2nd Ed. (W.H. Freeman and 

Company, 1981). 

(6) J.R. Reitz, F.J. Milford, and R.W. 

Christy, Foundations of Electromagnetic 

Theory (Addison-Wesley 

Publishing Company, Reading, Massachusetts, 

1979). 

(7) H.M. Schey, Div., Grad., Curl., 

and All That: An Informal Text on 

Vector Calculus 4th Ed. (W.W. 

Norton and Company, New York, 

New York, 2005). 

David W. Ball is normally 

a professor of chemistry 

at Cleveland State 

University in Ohio. For a 

while, though, things will 

not be normal: starting 

in July 2011 and for the 

commencing academic 

year, David will be serving as Distinguished 

Visiting Professor at the United States Air 

Force Academy in Colorado Springs, Colorado, 

where he will be teaching chemistry to 

Air Force cadets. He still, however, has two 

books on spectroscopy available through 

SPIE Press, and just recently published two 

new textbooks with Flat World Knowledge. 

Despite his relocation, he still can be contacted 

at d.ball@csuohio.edu. And finally, 

while at USAFA he will still be working on 

this series, destined to become another 

book at an SPIE Press web page near you. 

For more information on 

this topic, please visit: 

www.spectroscopyonline.com/ball


Focus on Quality 

USP and the 

GAMP Guide on Laboratory 

Computerized Systems — Is 

Integration Possible? 

The United States Pharmacopeia general chapter on analytical instrument qualification (USP 

) and the ISPE’s Good Automated Manufacturing Practice (GAMP) Good Practice Guide 

on laboratory computerized systems are the two main sources of guidance for qualifying analytical 

instruments and validating computerized systems used in the laboratory. This column 

explains the discrepancies between the two documents as well as changes now being made to 

both in an attempt to enable an integrated approach to qualification and validation of laboratory 

instruments and systems. 

R.D. McDowall and C. Burgess 

There are many sources of advice on computerized 

system validation and analytical instrument qualification 

for the laboratory, including regulatory 

agencies, such as the United States Food and Drug Administration 

(FDA) (1,2); regulatory associations such as 

the Pharmaceutical Inspection Convention/Co-operation 

Scheme (PIC/S) (3,4); the Official Medicines Control 

Laboratories (OMCL) in Europe (5); and pharmacopeias 

such as the United States Pharmacopeia (USP) (6). Information 

also can be obtained from scientific societies or 

associations such as the American Association of Pharmaceutical 

Scientists (AAPS) (7), the Parenteral Drug 

Association (PDA) (8), the Drug Information Association 

(DIA) (9), and the International Society of Pharmaceutical 

Engineering (ISPE) (10). All of these organizations 

have published guidance on instrument qualification or 

computer validation either for a general regulated audience 

or specifically for a regulated laboratory. 

There are two main sources, however, of regulatory 

guidance and advice for qualification of analytical instruments 

and validation of computerized systems used in 

the laboratory. The first is USP general chapter on 

analytical instrument qualification (AIQ) (6), which was 

derived from an AAPS meeting on analytical instrument 

validation held in 2003. One decision that came from that 

conference was that the terminology being used at the time 

was incorrect, because the conference name itself should 

have referred to analytical instrument qualification. The 

white paper published by AAPS in 2004 (7) was the major 

input to USP , which became effective in 2008.



The second source for guidance in a 

regulated laboratory comes from ISPE’s 

Good Automated Manufacturing Practice 

(GAMP) Guide, which is seen by 

many as a standard for computerized 

system validation. After the publication 

of version 4 of this guide in 2001 (11), 

ISPE published several “good practice 

guides” (GPGs) on specific topics that 

were intended to take the principles of 

the version 4 guide and tailor them for 

a particular subject or focus area. The 

GAMP Good Practice Guide on the 

Validation of Laboratory Computerized 

Systems is one such guide that was published 

in 2005 (12). 

The major problem with analytical 

instruments that are used in a regulated 

laboratory is their great variety, complexity, 

and variations in intended use. 

Furthermore, the software associated 

with an instrument can vary from firmware 

in basic instruments to servers and 

workstations for multiuser networked 

data systems. 

Writing guidance for the qualification 

of this wide range of instrumentation 

and software is not easy, as 

qualification needs also depend on 

the intended use of the instrument 

or system. However, as we have both 

maintained for a number of years, only 

an integrated approach to instrument 

qualification and computer validation 

— focusing on the key elements that 

must be controlled in a single combined 

process — is efficient and effective 

(13–16). An integrated approach is not 

only beneficial from a regulatory and 

auditable context, but it also is cost effective 

for the business. This approach 

is in contrast to conducting an initial 

qualification of the instrument and 

a separate validation of the software, 

which is inefficient and may duplicate 

some work. Furthermore, because of 

organizational structures, instrument 

qualification may be carried out by 

the vendor and considerable time may 

elapse before the computer validation 

is conducted and the system is released 

into operational use. 

It would be highly advantageous if 

the regulations and guidance could all 

say similar things and avoid duplicate 

tasks. However, with the way the current 

versions of USP (6) and the 

GAMP 5 & GPG 

software-driven 

approach 

Continuum of 

computerized 

laboratory 

systems 

USP 

instrument-driven 

approach 

Apparatus 

Group 

A 

1. Instruments 

with 

firmware 


with 

integral 

calculations 

Group 

B 

Figure 1: Mapping USP and GAMP software categories. 

GAMP laboratory systems GPG (12) are 

written, this is not possible, as we will 

illustrate now. 

Critique of the GAMP GPG 

Laboratory Guide 

In 2006, comments were made this column 

on the disconnection of the first 

edition of the GAMP GPG for validation 

of laboratory computerized systems 

from the rest of the regulated organization 

(13). The version of the GPG at that 

time had, from our perspective, the following 

issues: 

• The guide had an unnecessarily complex 

classification of laboratory computerized 

systems (13) that did not 

match the software-based classification 

in the main GAMP guide (17,18). 

• According to the GAMP GPG, everything 

required validation; there 

was no consideration of instrument 

qualification. 

• There was no linkage with USP 

on AIQ. 

• There was no reference to the seminal 

instrument qualification papers, such 

as the discussion of modular and holistic 

qualification approaches by Furman 

and colleagues (19). 

To be fair, the GAMP GPG embraced 

a simplified life cycle model that was 

a great advance compared to the traditional 

V model shown in GAMP 4. 

In 2008, GAMP 5 was released (10) 

and was an improvement to the previous 

version of the guide (11). The new 

GAMP 5 was more risk-based and 

introduced several life cycle models 

depending on the software category. 

However, the major problem with this 

new version of the GAMP guide was the 

removal of category 2 (firmware) from 

the categorization of software (17,18). 

Category 

3 


with 

user-defined 

programs 


with 

commercial 

non-config 

SW 

Group 

C 


with 

commercial 

config SW 

Category 

4 


with 

commercial 

config SW+ 

macros 

Category 

5 

While understandable from a software 

system perspective, it is in direct conflict 

with USP , in which group B 

instruments are firmware-based (6). 

Critique of USP 

Two earlier “Focus on Quality” columns 

commented on USP (13,16). The 

classification of analytical equipment 

into one of three groups (A, B, and C) 

is a simple risk assessment, which is a 

good approach, but conflicts with the 

more complex GAMP laboratory GPG. 

Some of the other problems of 

are 

• It makes the vendor, rather than the 

user, responsible for design qualification 

and defining the intended purpose 

for a specific laboratory. This is 

wrong. Only users can be responsible 

for defining their requirements and 

selecting the instrument or system 

that is appropriate to meet their scientific, 

regulatory, and business needs. 

The role of a vendor’s specification is 

to sell instruments. 

• The true role of the vendor is missing 

from the data quality triangle in 

(16). 

• There are subcategories within group 

B (instruments) and group C (systems) 

that are not covered in the current 

version of . This can lead to 

noncompliance with 21 CFR 211.68(b) 

with regard to checking calculations 

embedded in some group B instruments 

(16). 

• There is no control or guidance in 

group B instruments for users to program 

routines. 

• There is poor software validation 

guidance for group C systems that 

could result in regulatory observations 

for a laboratory.


No GXP 

impact 

Group A 

apparatus 

No qualification or 

validation impact 

However, qualification is 

good analytical science 

No qualification or 

validation impact 

So, where do we go from here? 

The next steps will take place on two 

fronts: first, a stimulus to the revision 

process paper for the update of USP 

(20); and second, the drafting of 

the second edition of the GAMP GPG 

on the validation of laboratory computerized 

systems (21), both of which 

are planned for publication in the first 

quarter of 2012. 

Proposed 

risk 

assessment 

Group B 

instruments 

Group C 

systems 

I. Qualification 

II. Qualification 

and verification 

of calculations 

III. Qualification 

and control of 

user-defined 

programs 

I. Full validation 

no instrument 

qualification 

II. Reduced 

validation 

no instrument 

qualification 

III. Full validation 

and instrument 

qualification 

IV. Reduced 

validation 

and instrument 

qualification 

Figure 2: Classification of laboratory items under the proposed risk assessment. 

USP Stimulus to the 

Revision Process 

During the AAPS annual meeting in 

November 2010, we suggested to the 

USP that we write a stimulus to the revision 

process paper on . Our proposal 

was accepted and we began working 

on a draft of the paper, scheduled for 

publication in Pharmacopeial Forum in 

the January–February 2012 issue (20). 

The main aspects of our paper are described 

below. 

Software Is Important in Analytical 

Instrument Qualification 

Two key points are necessary for effective 

and efficient AIQ. The first is defining 

the intended purpose of an item 

of laboratory equipment. The second 

is identifying the software used in that 

equipment. Typically, this software is 

either firmware inside an instrument 

or on a separate PC running a software 

application for controlling the instrument, 

as well as acquiring, interpreting, 

reporting, and storing the data. Neither 

of these software elements is adequately 

covered in the current version of 

(16). 

• The reference to the FDA’s guidance 

General Principles of Software Validation 

(1) is inappropriate because the 

FDA guidance does not consider the 

software configuration that is common 

with laboratory computerized 

systems. 

Readers should note that all USP 

analytical general chapters will be undergoing 

revision between now and 

2015, with updates being published in 

Pharmacopeial Forum; this revision will 

be combined with efforts to harmonize 

with chapter with both the Japanese and 

European pharmacopeias. New general 

chapters will be published in pairs: The 

legal requirements will be in chapters 

numbered between and and 

the corresponding best practice will be 

in a general chapter numbered between 

and . 

AIQ and Computerized System 

Validation: Where Are We Now? 

With the current versions of USP 

and the GAMP GPG on laboratory 

computerized systems, if we ask the 

question, “Is integration possible?” the 

answer is a resounding no. Specifically, 

there is no effective and efficient link 

between USP , and the GAMP 5, 

or indeed the GAMP laboratory GPG. 

Mapping USP to GAMP 5 

Software Categories 

One of the first considerations for revising 

should be to close the gap in 

the approaches of GAMP 5 and 

to reach a unified approach to qualification 

and validation, which is shown in 

Figure 1. This figure shows our mapping 

of the current GAMP software categories 

against groups A, B, and 

C. Our contention is that there are subcategories 

within groups B and C that 

are not covered by the current version 

of but that should be there to 

ensure comprehensive regulatory guidance 

(16). It is important to realize that



USP is driven by an instrument 

or hardware approach (classification 

into Groups A, B, and C). In contrast, 

the GAMP approach is software driven. 

When developing laboratory guidance, 

we have to consider both sides of the 

equation: hardware and software. 

Dropping GAMP software category 

2 requires category 3 to accommodate 

items ranging from simple analytical 

instruments with firmware to laboratory 

computerized systems with nonconfigurable 

commercial software. 

Potentially, we would require validating 

all group B instruments under 

GAMP rather than qualify them under 

. Because group A items do not 

contain software, there is no comparable 

mapping possible with GAMP 

5, but we have included this group in 

Figure 1 for completeness. We also 

have added GAMP software category 

5 under category 4 with it offset to 

the right in Figure 1 to show that with 

some category 4 systems it is possible 

to write user-defined macros. 

Comprehensive Risk 

Assessment Process 

The basic risk assessment model in 

is the classification of all laboratory 

items into one of the groups (A, B, 

or C) based on a definition of intended 

use. This approach is generally sound, 

because apparatus (group A), instruments 

(B), and systems (C) are easily 

classified. However, there is a weakness 

in that the level of granularity offered 

is insufficient to classify the variety of 

instruments (B) and systems (C) used 

in combination with software in the 

laboratory today. Figure 1 illustrates 

this point by depicting three subtypes 

within group B instruments (that is, 

firmware, firmware with calculations, 

and firmware with the ability for users 

to define programs). 

Therefore, our basic proposal in the 

stimulus to the revision process paper 

(20) is to provide better means of 

• unambiguously differentiating 

between apparatus (group A) and 

instruments (group B) based on functionality 

• linking the software elements with the 

various types of instrument (group B) 

and systems (group C), because current 

instrumentation is more complex 

that the simplistic use of groups A, B, 

and C. This will identify subgroups 

within groups B and C. 

• identifying items used in a regulated 

laboratory that are not GXP relevant, 

to exclude them from the qualification 

and validation process. 

We see this risk assessment as essential 

for determining the proper business 

and regulatory extent of qualification 

and validation for a specific instrument 

or system with a defined intended use. It 

also is a necessary requirement for complying 

with US good manufacturing 

practice (GMP) regulations, specifically 

21 CFR 21.68(b), which requires that 

calculations be checked if the instrument 

or system has calculations upon 

which the user relies (22). This requirement 

is not mentioned in the current 

version of . 

The risk assessment we propose is 

based on asking up to 16 closed questions 

(with only yes or no answers) that 

can classify an item in one of the four 

groups listed below and shown diagrammatically 

in Figure 2: 

1. No GXP impact of the instrument 

or system 

2. Group A (apparatus) — no formal 

qualification impact, only observation 

3. Group B (instruments) 

• Instrument only: qualification 

required (subcategory I) 

• Instrument with software: 

qualification required and 

calculations verified (subcategory 

II) 

• Instrument with software: 

qualification required plus 

control of user-defined 

programs (subcategory III) 

4. Group C (systems) 

• Full validation required but 

without instrument qualification 

(subcategory I) 

• Reduced validation required but 

without instrument qualification 

(subcategory II) 

• Full validation and instrument 

qualification required 

(subcategory III) 

• Reduced validation and instrument 

qualification required 

(subcategory IV). 

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Terminology Is Important 

You will notice that we talk in terms of 

apparatus, instruments, and systems for 

groups A, B, and C, respectively. This is 

deliberate and is based on the current 

definitions in , and also more accurately 

reflects the items found in these 

three groups rather than using the allencompassing 

term of analytical instruments. 

We also recommend that the use 

of the ambiguous term equipment be 

discontinued in the current context. 

4Qs Model Is Replaced by Risk-Based 

Qualification and Validation 

The 4Qs model of instrument qualification 

is confusing because there are two 

4Qs models, which we discuss in the 

stimulus to the revision process paper: 

one for instruments, outlined in ; 

and the second for computerized system 

validation (CSV), outlined in PDA 

Technical Report 32 (8). Also, the FDA 

does not use the terms installation qualification 

(IQ), operational qualification 

(OQ), or performance qualification (PQ) 

in the General Principles of Software 

Validation (1), as they explain in section 

3.1.3 of that document: 

While IQ/OQ/PQ terminology has served 

its purpose well and is one of many legitimate 

ways to organize software validation 

tasks at the user site, this terminology 

may not be well understood among many 

software professionals, and it is not used 

elsewhere in this document. 

Qualification terminology is also 

not well understood in the analytical 

laboratory because readers have to be 

aware of the context in which a specific 

term (qualification or validation) 

is used and although we use the same 

terms (IQ, OQ, and PQ) they mean 

different things depending on whether 

we are talking about qualification or 

validation (20). 

In contrast, both GAMP 5 (10) and 

the second edition of the laboratory 

GPG (21) use the term verification, 

which was adopted from the American 

Society for Testing and Materials 

(ASTM) Standard E2500 (23), which 

includes both the terms qualification 

and validation as well as the evergreen 

phrase “fit for intended use” throughout. 

ASTM E2500 defines verification 

as a systematic approach to verify that 

manufacturing systems, acting singly or 

in combination, are fit for intended use, 

have been properly installed, and are 

operating correctly. This is an umbrella 

term that encompasses all types of approaches 

to ensure that systems are fit 

for use in qualification, commissioning, 

and qualification, verification, system 

validation, or others (23). 

This definition can be compared to 

the one in ANSI –IEEE standard 610.1990 

(24), which defines verification as: 

1) The process of evaluating a system or 

component to determine whether the 

products of a given development phase 

satisfy the conditions imposed at the start 

of that phase; or (2) Formal proof of program 

correctness 

This Institute of Electrical and Electronics 

Engineers (IEEE) standard has 

been adopted as an American National 

Standards Institute (ANSI) standard. 

Therefore, use of the term is mandatory 

for all US government departments including 

the FDA. If we focus only on the 

first IEEE definition, this can be considered 

a subset of the ASTM definition 

of verification as follows: In software 

engineering, which is the context of 

IEEE 610, the deliverable or product of a 

lifecycle phase, say a functional specification, 

is verified against the input to it 

(for example, user requirements specification) 

to ensure that all requirements 

have been developed into software 

functions. This is a degree of rigor that 

is missing in many laboratory validation 

projects. 

GAMP Lab Systems Guide: 

Second Edition 

Since the release of version 5 of the 

GAMP guide (10), the 2005 version of 

the laboratory GPG has been out of step 

with the risk-based approach taken by 

the former publication. The GAMP 

forum made a decision to revise the 

document and publish a second edition 

of the GPG (21). A team led by Lorrie 

Schuessler of GlaxoSmithKline (GSK, 

King of Prussia, Pennsylvania), started 

the revision process of the GPG. 

Scope of the GPG Second Edition 

The remit of the GPG team was to revise, 

not reinvent, the document. One 

of the key areas was to align the second 

edition of the GPG with the terms and 

principles of GAMP 5. In doing this, 

there was a move from discrete laboratory 

computerized system categories 

to a risk-based approach, within which 

there was an increased emphasis on leveraging 

assessments and other services 

provided by instrument suppliers. The 

team also was tasked with providing 

ideas for efficiency in validation activities 

and harmonize with USP , 

which was omitted from the first edition 

of the GPG. 

A draft of the proposed GPG was issued 

for public comment in March 2011 

and those comments were incorporated 

into the revision process. When the 

GPG team learned of our planned update 

to USP they proposed a collaboration 

to align and integrate the two 

approaches. We were happy to agree. 

We worked closely and openly with a 

core team, including Lorrie Schuessler, 

Mark Newton, and Paul Smith, to help 

draft, review, and revise appendixes to 

integrate as much as possible the GAMP 

GPG with our proposed update of 

(20,21). 

Changes in the Second Edition of 

the Laboratory Systems GPG 

A major change to the laboratory systems 

GPG will be the removal of the 

categories of laboratory computerized 

systems. Depending on your perspective 

they were either loved (what?!) or hated 

(we’re in this camp). In practice, however, 

both the wide range of instruments 

and systems as well as the great number 

of business processes supported made 

use of categories problematic. The same 

item could be in several different categories 

depending on how it was used in 

a particular laboratory — for example, a 

sonic bath used for dissolving solutions, 

for delivering quantitative sonic energy 

or temperature, or in a robot system. 

Thus, the wide ranges of use made 

single categories misleading and failed 

to effectively use the resources needed 

for validation. So, now the categories of 

laboratory computerized systems have 

been replaced with the relative terms 

simple, medium, and complex. 

The second edition of the GPG is 

nearly twice the size of the first edition, 

and the majority of the new content is



contained in the appendixes (21). The 

first edition had only three appendixes, 

whereas the second edition has 12 appendixes 

to describe items in more 

detail. Furthermore, where a topic has 

been covered in sufficient detail in the 

main GAMP guide, the reader is referred 

to it. 

New Appendixes 

The appendixes of the second edition 

GPG are listed below: 

1. Comparison of USP and 

GAMP GPG 

2. Categories of Software 

3. System Description 

4. Application of EU Annex 11 to 

Computerized Lab Systems 

5. Data Integrity 

6. Definition of Electronic Records 

and Raw Data 

7. Activities for Simple Systems 

8. Activities for Medium Systems 

9. Networked Chromatography Data 

System with Automated HPLC 

Dissolution 

10. Instrument Interfacing Systems 

including LIMS and Electronic 

Notebooks 

11. Robotics Systems 

12. Supplier Documentation and 

Services 

From our point of view, Appendix 1 

is the most important because it brings 

together the two approaches in a single 

discussion. A good inclusion in the GPG 

are discussions on the latest regulatory 

requirements: Appendixes 4 and 6 address 

the impact of the new EU GMP 

regulations of Annex 11 (25) and Chapter 

4 (26), respectively. The increased 

emphasis by the regulatory agencies on 

data integrity also has been addressed, 

in Appendix 5, which helps laboratories 

meet the challenge of data integrity 

in an electronic environment. Validation 

activities for simple, medium, and 

complex systems are discussed in four 

of the appendixes. Finally, there also is 

a discussion of supplier documentation 

and services and how to leverage and 

use them. 

AIQ and CSV. Where Will We Be in 

the First Quarter of 2012? 

The title of this column asked if integration 

of USP and the GAMP 

GPG for validation of laboratory computerized 

systems was possible. With 

the current versions of the two documents, 

this is not possible, because of 

the divergent approaches explained 

earlier. 

However, the first quarter of 2012 

brings the promise of integration, 

because both two publications will be 

updated at that time. Our stimulus 

to the revision process paper for USP 

will be published in Pharmacopeial 

Forum and will detail the risk 

assessment and the subdivision of 

Groups 1, 2, and 3 (20). The second 

edition of the GAMP GPG for the 

validation of laboratory computerized 

systems also will be published (21). In 

it, the categories will be eliminated 

and replaced with the GAMP software 

categories. Both documents have 

common elements and approaches, 

because the teams have collaborated 

to achieve this. 

So, back to the question posed in 

the title: Is integration possible between 

and the GAMP GPG? 

Yes, it is, and with the updates of 

these two documents, we are moving 

toward that ideal. However, life is not 

perfect, at least not yet. GAMP software 

category 2 needs to be reinstated 

for full alignment with Group 

B instruments and to allow more 

explicit flexibility in the laboratory 

computerized systems GPG. Qualification 

of laboratory instrumentation 

is not a term that is recognized by 

GAMP because they have decided to 

use verification instead, yet ISPE provides 

guidance documents on facility 

commissioning and qualification (27) 

— so where is the problem? The revision 

of USP also uses the term 

validation, which is avoided in the 

GPG. However, these differences are 

easily surmountable with intelligent 

interpretation and implementation of 

an integrated approach to AIQ and 

CSV in your analytical laboratory. 

In the future, we hope that we will 

have USP providing the regulatory 

overview of analytical instrument 

qualification and linking to the relevant 

requirement chapters of USP that contain 

the specific instrument parameters 

to qualify. The GAMP laboratory GPG 

could then provide guidance on how 

to achieve this as well as the validation 

of the software elements (from a single 

embedded calculation to the whole application 

or system) — a unified and 

integrated approach. 

If this occurs, then the pharmaceutical 

industry can meet the existing 

approach that ISO 17025 (28) states in 

section 5.5.2: 

Equipment and its software used for 

testing, calibration and sampling shall 

be capable of achieving the accuracy 

required… 

This implies an integrated approach 

to ensure that the analytical instrument 

and the associated software work, 

as specified for the intended purpose. 

Nothing more and nothing less. 

Acknowledgments 

The authors would like to thank the 

following parties for their contribution 

to developing the stimulus to the revision 

process, the second edition of the 

GAMP Laboratory GPG, and review of 

this column: 

• Horatio Pappa, USP 

• Members of the GAMP GPG for 

Validation of Laboratory Computerized 

Systems were Lorrie Schuessler 

(GlaxoSmithKline), Mark Newton 

(Eli Lilly & Co.), Paul Smith (Agilent 

Technologies), Carol Lee (JRF 

America), Christopher H. White 

(Eisai Inc.), Craig Johnson (Amgen 

Inc.), David Dube (Aveo Pharmaceuticals 

Inc.), Judy Samardelis 

(Qiagen), Karen Evans and Kiet 

Luong (GlaxoSmithKline), Markus 

Zeitz (Novartis Pharma AG), Peter 

Brandstetter (Acondis) Rachel Adler 

(Janssen Pharmaceutical), and 

Shelly Gutt (Covance Inc.). 

• Mark Newton, Paul Smith, Lorrie 

Schuessler, and Horatio Pappa for 

providing comments on the draft of 

this column. 

References 

(1) Guidance for Industry, General 

Principles of Software Validation, 

FDA (2002). 

(2) Guidance for Industry, Computerized 

Systems in Clinical Investigations, 

FDA (2007).


(3) Pharmaceutical Inspection Convention and Co-operation 

Scheme (PIC/S), PIC/S PI-011 Computerized Systems 

in GXP Environments (2004). 

(4) http://www.edqm.eu/en/General-European-OMCL- 

Network-46.html. A document for HPLC qualification 

was updated in 2011: http://www.edqm.eu/medias/ 

fichiers/UPDATED_Annex_1_Qualification_of_HPLC_ 

Equipment.pdf. 

(5) Pharmaceutical Inspection Convention and Co-operation 

Scheme (PIC/S), Recommendations on Validation Master 

Plan, Installation and Operational Qualification, Non- 

Sterile Process Validation and Cleaning Validation, PI- 

006 (2001). 

(6) United States Pharmacopoeia (USP) Analytical 

Instrument Qualification. 

(7) American Association of Pharmaceutical Scientists 

(AAPS) Analytical Instrument Qualification white paper 

(2004). 

(8) Validation of Computer Related Systems, Technical Report 

18, Parenteral Drug Association (PDA) (1994). 

(9) Computerized Systems used in Non-Clinical Safety Assessment 

— Current Concepts in Validation and Compliance, 

Drug Information Association (2008). 

(10) Good Automated Manufacturing Practice (GAMP) 

Guideline Version 4, ISPE (2001). 

(11) Good Automated Manufacturing Practice (GAMP) 

Guideline Version 5, ISPE (2008). 

(12) GAMP Good Practice Guide on the Validation of Laboratory 

Computerized Systems, First Edition, ISPE (2005). 

(13) R.D. McDowall, Spectroscopy 21(4), 14–30 (2006). 






(19) W. Furman, R. Tetzlaff, and T. Layloff, JOAC Int. 77, 

1314–1317 (1994). 

(20) C. Burgess and R.D. McDowall, Pharmaceutical Forum, 

scheduled for Jan-Feb issue in press 2012. 

(21) GAMP Good Practice Guide on the Validation of Laboratory 

Computerised Systems, Second Edition, ISPE, in press, 

scheduled for publication Q1 2012. 

(22) US GMP 21 CFR 211.68(b). 

(23) ASTM Standard 2500, Standard Guide for Specification, 

Design, and Verification of Pharmaceutical and Biopharmaceutical 

Manufacturing Systems and Equipment, 

American Society for Testing and Materials (2007). 

(24) IEEE Standard 610.1990 and American National Standard, 

Glossary of Software Engineering Terminology, 

IEEE Piscataway (1990). 

(25) EU GMP Annex 11 on Computerized Systems (2011) 

(26) EU GMP Chapter 4 Documentation (2011). 

(27) ISPE Good Practice Guide: Applied Risk Management for 

Commissioning and Qualification, ISPE (2011). 

(28) ISO 17025, General Requirements for the Competence 

of Testing and Calibration Laboratories, ISO, Geneva 

(2005). 

Chris Burgess has more than 36 years 

of experience in the pharmaceutical industry, 

primarily with Glaxo in quality assurance 

and analytical R&D. He is a qualified 

person under EU GMP and a member 

of the United States Pharmacopoeia’s 

Council of Experts 2010–2015. He also 

is a visiting professor of the University 

of Strathclyde’s School of Pharmacy and 

Biomedical Sciences in Glasgow, Scotland. 

R.D. McDowall is the principal of 

McDowall Consulting and director of R.D. 

McDowall Limited, and the editor of 

the “Questions of Quality” column for 

LCGC Europe, Spectroscopy’s sister magazine. 

Direct correspondence to: spectroscopyedit@advanstar.com 

For more information on this topic, please visit: 

www.spectroscopyonline.com/mcdowall



Temporary Online FT-IR 

Spectroscopy for Process 

Characterization in the 

Chemical Industry 

The focus of this paper will be on the use of temporary online Fourier-transform infrared 

(FT-IR) spectroscopy in the chemical industry including two case-study applications involving 

fouling and product quality. These case studies will be followed by a discussion of the use of 

temporary online FT-IR analysis enabling process optimization. 

Serena Stephenson, Lamar Dewald, Esteban Baquero, Wendy Flory, Liane Mikolajczyk, 

and J.D. Tate 

The Dow Chemical Company (Midland, Michigan) 

is the world’s largest integrated chemical company 

utilizing a wide variety of unique chemistries in 

the production of both basic and specialty chemicals. 

The diversity of chemical processes and the interrelationships 

of production facilities in the integrated chemical 

complex provide significant opportunities for process 

optimization. Fouling, corrosion, plugging, or out-ofspecification 

product occurrences in one manufacturing 

plant can have negative effects on the operation of one 

or more downstream facilities. Accurate and representative 

data for process characterization is a key factor in 

making informed decisions regarding the resolution of 

process problems. The information-rich nature of optical 

spectroscopy and, in particular, Fourier-transform infrared 

(FT-IR) spectroscopy is uniquely suited for rapid and 

continuous online process characterization. 

Sometimes grab samples of the process that are analyzed 

in the laboratory provide sufficient data for process 

characterization. However, the nature of a process 

stream frequently makes collecting representative grab 

samples difficult. Gas-phase samples, reactive samples, 

and samples under elevated (or depressed) temperature 

or pressure are a few examples of samples that are particularly 

difficult to collect and analyze by laboratory 

analysis. Streams where trace (for example, low parts per 

million) levels of water or carbon dioxide are the analytes 

of interest are also a particular challenge for grab 

sample laboratory analysis because concentration levels 

are easily influenced by atmospheric composition. Safety 

issues must also be considered when collecting samples 

of highly toxic or explosive materials such as phosgene, 

acrylates, ethylene oxide, hydrogen chloride, or isocyanates. 

Depending on the duration and extent of required 

toxic material analyses, properly designed continuous 

online analysis can help mitigate associated safety issues. 

Additionally, when the process event of interest is 

transient occurring over a short time-frame, occurring 

at unknown intervals, or if the process is not at steadystate, 

a continuous online analysis of a representative 

sample provides a richness of insight into the process 

that would not be achievable by the infrequent glimpses 

into the process that is attainable by grab sample analysis. 

Lastly, continuous analyses are an invaluable tool 

during new process development and process scale-up 

due to the ability to thoroughly characterize the process. 

Of the available analytical tools for temporary online 

process characterization, FT-IR is among the most powerful. 

FT-IR is a fast technique providing fundamental 

vibrational information for the components in the stream 

and allowing the capture and retention of informationrich 

spectra. The raw data obtained from FT-IR are often


Figure 1: Temporary setup of FT-IR analyzer 

for analysis of the ethylene stream in case 

study 1 for use with attended operation only. 

Figure 2: Temporary setup of FT-IR analyzer 

in case study 2 for continuous 24/7 data 

collection. 

referred to as “traceable” because 

analysts can refer to primary and 

secondary standards corresponding 

to the spectral information from 

the process sample. Analysts may 

also examine the raw spectral data 

for interferences that have not been 

present previously or do not match 

the anticipated stream composition. 

A variety of chemometric modeling 

techniques (1) are available to obtain 

quantitative information, trending 

information, or simple qualitative 

stream composition analysis from 

the raw spectra depending on the 

purpose and requirements of the 

particular application. 

The insights and data obtained 

from continuous online FT-IR can be 

applied to optimize process control 

models, validate the consistency of 

production quality, or inform development 

of robust and reliable permanent 

process analyzer applications. 

The following case studies focus on 

process control optimization and 

product quality. 

Experimental 

Before discussing case studies it will 

be useful to highlight a few basic 

considerations for installing a FT-IR 

system in a process environment. Of 

course, spectrometer setup, operation, 

and data processing must be 

appropriately specified for a given 

application, but unless the sample is 

reliably and safely delivered to the 

spectrometer the analysis details are 

mute. Process analyzer installation 

and methods can be complex (2), but 

two major design considerations for 

temporary analysis are safety and 

sample system design. The first to 

consider is safety. Although some 

safety concerns associated with handling 

samples for laboratory analysis 

are mitigated by using a process 

analyzer and eliminating routine 

grab sampling, a distinct set of other 

safety related hazards must be addressed. 

Of primary concern is assuring 

area classifications are met to 

mitigate explosion or exposure risks. 

In the first case study, the stream was 

comprised mostly of ethylene and the 

area classification issue was of critical 

importance. Because the FT-IR 

system that was used was not classified 

for a Class 1 Division 2 area, 

operating procedures were developed 

designating attended operation with 

appropriate area lower explosion 

limit (LEL) monitoring and emergency 

shutdown plans should the 

LEL monitor indicate the presence 

of a flammable atmosphere. A picture 

of the field setup of the analyzer 

is shown in Figure 1. On days when 

there was a threat of rain, a canopy 

was placed over the whole system. 

The preferred option would have 

been to package the spectrometer in 

a z-purged analyzer enclosure. Cost 

and timing constraints prevented the 

preferred path of C1D2 packaging for 

the analyzer in the ethylene analysis 

case study. Figure 2 shows the analyzer 

packaged for the product quality 

case study where the analyzer was 

installed in the field and operating 

under nonattended operation 24/7. 

In the product quality case study, the 

location was a nonclassified area, but 

the stream composition was highly 

toxic and corrosive. The analyzer 

enclosure was exposed to the elements 

and vortex coolers were used 

to control the temperature inside 

the enclosure. 

The second set of design considerations 

revolve around sample systems 

and sample handling panels. 

Having a continuous online analysis 

is not useful if the analyzer is not 

provided with a consistent and representative 

process sample for analysis. 

Sample systems are an integral 

part of the success or failure of a process 

analytical system (3). FT-IR and 

spectroscopic techniques in general 

demand much simpler sample systems 

than required by typical process 

gas chromatography systems, 

but fundamentals such as flow and 

pressure as well as avoiding condensation, 

particulates, and plugging 

are still essential. Key methods for 

liquid- and gas-phase sample systems 

for FT-IR implementation are different. 

Here, the focus is on gas-phase 

FT-IR as this technique has repeatedly 

been demonstrated to meet the 

temporary online stream characterization 

requirements in a variety of 

Dow processes. When it comes to liquid-phase 

analysis, attenuated total 

reflectance (ATR) FT-IR techniques 

are occasionally used, but probe 

fouling and lack of ability to monitor 

trace levels can be limiting and 

the use of a near-infrared or Raman 

system may be preferable. For gasphase 

process streams, long-pathlength 

FT-IR analysis is a workhorse 

for stream characterization. The 

two systems that were used in the 

case studies discussed below are the 

MKS 2032 MultiGas FT-IR system 

(MKS Instruments, Andover, Massachusetts) 

and the Gasmet DX4000



FT-IR system (Gasmet Technologies 

Oy, Finland). Other FT-IR systems 

could also be utilized, but portability 

and 24/7 continuous data acquisition 

are key requirements. 

Case Study — Fouling 

The first case study is an application 

in a plant trying to solve 

plugging and fouling events that 

have been occurring regularly 

over multiple years. The stream 

was primarily ethylene with other 

C 2 

–C 8 

hydrocarbons and unknown 

low levels of acrylic acid monomer, 

water, and other small organics 

thought to be present in concentrations 

less than 1 mol%. It was 

known that the substance plugging 

the equipment at the facility was 

polyacrylic acid polymer and that 

minimizing the presence of acrylic 

acid and water in the stream would 

minimize the fouling. Several process 

control changes had been tried 

throughout the years, based purely 

on Aspen process models (Aspen 

Abs Arb 

(a) 

2 

0 

(b) 

2 

(c) 

0 

2 

0 

(d) 

2 

0 

4000 

3000 

Technology, Inc., Burlington, Massachusetts), 

but the plugging issues 

persisted. The unknown was how 

various process operating conditions 

in surrounding portions of the 

Wavenumber (cm -1 ) 

2000 

Figure 3: Spectra of (a) 100% ethylene, (b) 500 ppm water, and (c) 932 ppm acrylic acid, and 

(d) a process spectrum at 150 °C and 1 atm with a 5.11-m pathlength at 0.5-cm -1 resolution and 

a 1-min collection time. 

plant impacted the residual levels of 

acrylic acid and water in the region 

where fouling occurred. Attempts 

to validate the assumptions used for 

the process models using aluminum


Concentration (ppm) 

Arbitrary units 

-0.00 

2500 

4500 

4000 

3500 

3000 

2500 

2000 

1500 

1000 

500 

0 

Acrylic acid trial A 

Acrylic acid trial B 

Water trial A 

Water trial B 

CO 

2500 2400 2300 2200 2100 2000 1900 

oxide moisture measurements failed 

because the aluminum oxide moisture 

analyses used were infrequent, 

slow to equilibrate, suffered from 

calibration drift because of stream 

components fouling the sensor, and 

were not reproducible. Additionally, 

the aluminum oxide sensor only 

provided data on the moisture component, 

not the acrylic acid concentration 

or any of the other hydrocarbons 

or organics that were suspected 

to be present. 

Time--> 

Figure 4: Acrylic acid and water trends during two different process trials showing significant 

impact on the water concentrations between the two sets of process conditions. 


DCI 

2400 2300 2200 2100 2000 1900 

Figure 5: Process spectra containing DCl and some CO 2 

compared to reference spectra of CO at 

both 8-cm -1 and 1-cm -1 resolution. 

To achieve a fast response, quantitative 

results, low detection limits, 

and multicomponent analysis, a 

long-path FT-IR was installed at the 

process location with a sample line 

comprising 50 ft of ¼-in. diameter 

heat traced tubing to minimize condensation 

or changes in the sample 

between the process pipe and the 

analyzer. The process sample was 

returned to the plant’s vacuum vent 

line. This process drop allowed 

for continuous flow at the rate of 

~2–3 L/min and a constant pressure 

in the FT-IR sample cell. The sample 

cell pathlength was 5.11 m and 0.5 

cm -1 spectral resolution was used. 

Figure 3 shows an example spectrum 

of 100% ethylene as well as 

water and acrylic acid in the concentration 

range of interest. Figure 

3 also provides a process spectrum 

clearly indicating that both water 

and acrylic acid are present in the 

process ethylene. A total of six components 

were monitored in the ethylene 

process stream, including the 

water and acrylic acid. 

A spectral data point was collected 

every minute to capture process fluctuations. 

A designed set of experiments 

was implemented that systematically 

changed the plant’s operating 

conditions within acceptable ranges 

while levels of acrylic acid and water, 

among other components, were monitored. 

Figure 4 includes process 

trend comparisons between just two 

of the process condition experiments 

showing a better than threefold difference 

in water concentration while 

having negligible effects on acrylic 

acid levels. The fluctuations within 

each of the given trials also correlated 

with specific process parameters 

and provided insight into process 

stability. Other tested process 

conditions demonstrated decreases 

in residual acrylic acid. 

The key information learned from 

continuous FT-IR data of acrylic acid 

and water, as well as the other components, 

in comparison with known 

process control parameters was identification 

of specific process parameters 

that enabled reduction in acrylic 

acid and water without adversely affecting 

quality or other process operations. 

The analytical results were 

used to optimize the process control 

model based on Aspen simulations. 

The new process model was implemented 

in the plant for control. Before 

implementation of the model, 

fouling occurred every 1–2 months 

causing 2–3 days of downtime per incident. 

Since implementation of the 

model more than 1 year ago there has 

not been a shutdown caused by the 

fouling problem. This case study is



an excellent example of FT-IR spectroscopy 

being used for continuous 

online analysis to improve process 

operation by providing real-time 

data for process correlation. The 

plant’s issue was solved without investment 

in installation and maintenance 

of a permanent FT-IR (or any 

other) process analyzer. 

Case Study — Product Quality 

A second case study, in which gas 

phase FT-IR was applied to characterize 

a process, was for the purpose 

of product quality optimization. 

In this case, the goal was product 

purity. The stream was very simple 

with a single component being 

greater than 99.99% pure with contaminants 

of interest for continuous 

analysis, carbon monoxide (CO) and 

carbon dioxide (CO 2 

), being present 

at levels below 1 ppm under normal 

conditions. The major challenge with 

analyzing CO 2 

by grab sample and 

laboratory analysis is atmospheric 

contamination of the sample. By 

using a continuous online sample 

system that is free of leaks, a more 

representative sample is achieved. In 

this particular case study, the plant 

was interested in increasing the purity 

of its hydrochloric acid (HCl) 

product. The FT-IR data were used to 

validate process improvements with 

regard to minimizing the CO 2 

and 

CO content of the product. 

Two different FT-IR systems were 

applied for the sub-part-per-million 

analysis of CO and CO 2 

in HCl because 

of changing equipment availability. 

Both used a 5-m pathlength 

multipass cell, a 1-min collection 

time, and a 60 °C cell temperature, 

and both operated with sample pressures 

slightly below atmospheric pressure. 

The primary difference between 

the two FT-IR systems was spectral 

resolution. One system was operated 

at 0.5-cm -1 resolution and the other 

at 8 cm -1 . Both used modified classical 

least squares (CLS) algorithms 

for quantitative concentration determination. 

There were advantages and 

disadvantages of operating under the 

different resolutions (5), but both demonstrated 

capability for the analysis. 

The lower-resolution system required 

greater attention to the CLS 

model prediction because of spectral 

overlap between deuterium chloride 

(DCl) and CO. The ro-vibrational 

spectra of HCl is well known to have 

rotational structure from both the 

H 35 Cl and H 37 Cl isotopes. With the 

natural abundance of deuterium 

being 156 ppm, the spectrum of anhydrous 

HCl also contains rotational 

structure from the υ=1←0 band of 

D 35 Cl and D 37 Cl centered at 2145.163 

cm -1 (7) and overlaps the fundamental 

CO stretch region. Figure 5 

shows the overlap of DCl and CO at 

0.5 cm -1 and 8 cm -1 resolution. With 

the spectrometer system at 0.5 cm -1 

resolution, the best quantitative solution 

was to rely on CO transitions 

located in the DCl Q-branch gap. 

Specifically, the three CO transitions 

at 2094.8 (P(12)), 2090.6 (P(13)), and 

2086.3 cm -1 (P(14)) were used for the 

CO analysis on the 0.5 cm -1 resolution 

spectrometer. A modified CLS 

method based off of peak areas was 

used for quantitative prediction with 

the 0.5-cm -1 system. At 8-cm -1 resolution, 

a CLS method was developed 

and validated assuming a constant 

deuterium concentration of 0.0156% 

of the HCl concentration and incorporating 

HCl concentrations into the 

model. This approach also allowed 

small pressure and temperature fluctuations 

to be accounted for within 

the model. 

Conclusions 

Continuous at-line and online FT-IR 

implementation has proven to be effective 

for characterizing process 

streams that prove challenging from 

the perspective of traditional grab 

sampling and laboratory analysis. 

Care must be taken in sample handling 

and implementation to assure 

that a representative sample is delivered 

to the analyzer. 

The value of FT-IR spectroscopy 

for process characterization is the information-rich 

nature of the data obtained 

and how that information is applied 

to optimize or troubleshoot the 

process. In many cases, a temporary 

online setup that provides a few weeks 

to a couple of months of stream data is 

all that is required for improvements 

to be chosen, implemented, and validated. 

However, in other cases the information 

collected by the temporary 

online FT-IR spectrometer indicates 

the need for a permanent online analysis 

to be used for closed-loop control 

or routine monitoring. In these situations, 

the stream composition data 

from the FT-IR analysis are used to 

specify the most robust, reliable, and 

economical solution for a permanent 

online analysis. In a few cases this 

might be a FT-IR system, but more 

commonly the permanent solution 

is an alternative spectroscopic-based 

solution, such as a filter photometer 

or tunable diode laser system. Use of 

full-spectrum FT-IR stream composition 

information while specifying a 

permanent analyzer system increases 

the success rate of the new application 

development and installations of process 

analysis technologies. 

References 

(1) K.R. Beebe, R.J. Pell, and M.B. Seasholtz, 

Chemometrics A Practical 

Guide (John Wiley & Sons, Inc., New 

York, 1998), Chapter 5. 

(2) K.J. Clevett, Process Analyzer Technology 

(John Wiley & Sons, Inc. New 

York, 1986), Chapter 21. 

(3) R.E. Sherman, Process Analyzer Sample- 

Conditioning System Technology (John 

Wiley & Sons, Inc, New York, 2002). 

(4) P. Jaakkola, J.D. Tate, M. Paakkunainen, 

and P. Saarinen, Appl. Spectrosc. 

51, 1159–1169 (1997). 

(5) K. P. Huber and G. Herzberg, Molecular 

Spectra and Molecular Structure IV. 

Constants of Diatomic Molecules (Van 

Nostrand-Reinhold, New York, 1979). 

Serena Stephenson, 

Lamar Dewald, Esteban 

Baquero, Wendy Flory, Liane 

Mikolajczyk, and J.D. Tate are with 

The Dow Chemical Company. Direct correspondence 

to: SStephenson@dow.com ◾ 

For more information on this topic, 

please visit our homepage at: 

www.spectroscopyonline.com


Volume 26, 2011 

2011 Editorial Index 

AUTHORS 

A 

Acosta, Tayro E. See Misra, Anupam K. 

Adar, Fran. “Analytical Vibrational Spectroscopy — NIR, IR, 

and Raman,” in Molecular Spectroscopy Workbench. October, 

p. 14. 

Adar, Fran. “Entering Raman’s Realm,” in Molecular Spectroscopy 

Workbench. March, p. 22. 

Adar, Fran. “Graphene: Why the Nobel Prize and Why Raman?” 

in Molecular Spectroscopy Workbench. February, p. 16. 

Ahmed, Selver; Wunder, Stephanie L.; and Nickolov, Zhorro S. 

Raman Spectroscopy of Supported Lipid Bilayer Nanoparticles. 

Raman Technology for Today’s Spectroscopists, June, p. 8. 

Almirall, Jose; and Miziolek, Andrzej. Review of the Third North 

American Symposium on Laser-Induced Breakdown Spectroscopy 

(NASLIBS) 2011 Conference. October, p. 48. 

Alonso, David E.; Binkley, Joe; and Siek, Kevin. Comprehensive 

Analysis of Persistent Organic Pollutants in Complex Matrices 

Using GC with High-Performance TOF-MS. Current 

Trends in Mass Spectrometry, July, p. 48. 

Andrews, Darren. See Matousek, Pavel. 

Angel, S. Michael. See Gomer, Nathaniel R. 

Artaev, Viatcheslav. See Patrick, Jeffrey S. 

Asara, John M. Mass Spectrometry Advances Fossilomics. Current 

Trends in Mass Spectrometry, March, p. 18. 

Assi, Sulaf; Watt, Robert; and Moffat, Tony. Comparison of 

Laboratory and Handheld Raman Instruments for the Identification 

of Counterfeit Medicines. Raman Technology for 

Today’s Spectroscopists, June, p. 36. 

Atkins, P.; Ernyei, L.; Driscoll, W.; Obenauf, R.; and Thomas, R. 

Analysis of Toxic Trace Metals in Pet Foods Using Cryogenic 

Grinding and Quantitation by ICP-MS, Part I. January, p. 46. 

Atkins, P.; Ernyei, L.; Driscoll, W.; Obenauf, R.; and Thomas, 

R. Analysis of Toxic Trace Metals in Pet Foods Using 

Cryogenic Grinding and Quantitation by ICP-MS, Part 

II. February, p. 42. 

B 

Ball, David W. “Little Points of Light,” in The Baseline. January, 

p. 20. 

Ball, David W. “Maxwell’s Equations, Part I: History,” in The 

Baseline. April, p. 16. 

Ball, David W. “Maxwell’s Equations, Part II,” in The Baseline. 

June, p. 14. 

Ball, David W. “Maxwell’s Equations, Part III,” in The Baseline. 

September, p. 18. 

Ball, David W. “Maxwell’s Equations, Part IV,” in The Baseline. 

December, p. 10. 

Balogh, Michael. The Nature and Utility of Mass Spectra. February, 

p. 60. 

Baquero, Esteban. See Stephenson, Serena. 

Bartsch, G. See Pallua, J.D. 

Bates, David E. See Misra, Anupam K. 

Baumgartner, C. See Pallua, J.D. 

Beechem, Thomas E.; and Serrano, Justin R. Raman Thermometry 

of Microdevices: Choosing a Method to Minimize Error. 

November, p. 36. 

Begley, Benjamin; and Koleto, Michael. Single Multipoint Calibration 

Curve for Discovery Bioanalysis. Current Trends in 

Mass Spectrometry, May, p. 8. 

Binkley, Joe. See Alonso, David E. 

Binkley, Joe. See Patrick, Jeffrey S. 

Bittner, L.K. See Pallua, J.D. 

Blank, Thomas B. See Ford, Alan R. 

Bloomfield, Matthew. See Matousek, Pavel. 

Boeker, Peter. See Haas, Torsten. 

Bonn, G.K. See Pallua, J.D. 

Brill, Laurence M. Responding to Data Analysis and Evaluation 

Challenges in Mass Spectrometry–Based Methods for High- 

Throughput Proteomics. Current Trends in Mass Spectrometry, 

March, p. 36. 

Brouillette, Carl. See Donahue, Michael. 

Brueggemeyer, Thomas. See Lanzarotta, Adam. 

Burgess, Chris. See McDowall, R.D.



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L. “R&D Opportunities in Arc/Spark 

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Charles William. Why Use Signal- 

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Alan. Comparison of Extracts 

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Zhang, Qianxuan; Li, Qingbo; and 

Zhang, Guangjun. Scattering Impact 

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July, p. 28. 

Zhang, Zhen Long; Chang, Da Hu; and 

Mo, Yu Jun. The pH Dependence of 

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Mass Spectrometry of Organic Molecules 

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SUBJECTS 

ATOMIC EMISSION SPECTROSCOPY 

“Close Enough: The Value of Semiquantitative 

Analysis,” in Atomic Perspectives. 

Kenneth Neubauer and Laura 

Thompson. May, p. 24. 

“R&D Opportunities in Arc/Spark Optical 

Emission Spectrometry,” in 

Atomic Perspectives. Volker B.E. 

Thomsen and Jerald L. Spencer. 

July, p. 18. 

Spectrometers for Elemental Spectrochemical 

Analysis, Part IV: Inductively 

Coupled Plasma Optical Emission 

Spectrometers. Carlos Augusto 

Coutinho and Volker Thomsen. September, 

p. 44. 

“Using ICP-MS and ICP-OES to Measure 

Trace Elemental Impurities in 

Pharmaceuticals in Compliance with 

Proposed Pharmacopeia Chapters,” in 

Atomic Perspectives. Matthew Cassup. 

March, p. 26. 

ATOMIC PERSPECTIVES COLUMN 

“Analysis of Flue Gas Desulfurization 

Wastewaters by ICP-MS,” in Atomic 

Perspectives. Richard Burrows, Steve 

Wilbur, and Richard Clinkscales. November, 

p. 30. 





“Measurement Techniques for Mercury: 

Which Approach Is Right for You?” 

in Atomic Perspectives. David Pfeil. 



Emission Spectrometry,” in Atomic 

Perspectives. Volker B.E. Thomsen 

and Jerald L. Spencer. July, p. 18. 


Trace Elemental Impurities in Pharmaceuticals 

in Compliance with Proposed 

Pharmacopeia Chapters,” in Atomic 

Perspectives. Matthew Cassup. March, 

p. 26. 

ATOMIC SPECTROSCOPY 





p. 30. 

Analysis of Toxic Trace Metals in Pet



Foods Using Cryogenic Grinding and 

Quantitation by ICP-MS, Part I. P. Atkins, 

L. Ernyei, W. Driscoll, R. Obenauf, 

and R. Thomas. January, p. 46. 

Analysis of Toxic Trace Metals in Pet 


Quantitation by ICP-MS, Part II. P. 

Atkins, L. Ernyei, W. Driscoll, R. Obenauf, 

and R. Thomas. February, p. 42. 





The Dynamic World of X-ray Fluorescence. 

Laura Bush. July, p. 40. 

“LIBS in Forensics,” in Lasers and Optics 

Interface. Laura Bush. April, p. 34. 

“Measurement Techniques for Mercury: 

Which Approach Is Right for You?” 

in Atomic Perspectives. David Pfeil. 


Microwave-Induced Combustion for ICP- 

MS: A Generic Approach to Trace Elemental 

Analyses of Pharmaceutical 

Products. Kwan H. Nam, Robert Isensee, 

Gabe Infantino, Karol Putyera, 

and Xinwei Wang. April, p. 36. 


Emission Spectrometry,” in Atomic 

Perspectives. Volker B.E. Thomsen 

and Jerald L. Spencer. July, p. 18. 






p. 44. 






March, p. 26. 

BASELINE COLUMN 

“Little Points of Light,” in The Baseline. 

David W. Ball. January, p. 20. 

“Maxwell’s Equations, Part I: History,” in 

The Baseline. David W. Ball. April, p. 

16. 

“Maxwell’s Equations, Part II,” in The 

Baseline. David W. Ball. June, p. 14. 

“Maxwell’s Equations, Part III,” in The Baseline. 

David W. Ball. September, p. 18. 

“Maxwell’s Equations, Part IV,” in The 

Baseline. David W. Ball. December, 

p. 10. 

BIOLOGICAL AND MEDICAL 

ANALYSIS 

Optimizing FT-IR Sampling for a Method 

to Determine the Chemical Composition 

of Microbial Materials. Steve 

Lowry. June, p. 30. 

Scattering Impact Analysis and Correction 

for Leaf Biochemical Parameter 

Estimation Using Vis-NIR Spectroscopy. 

Qianxuan Zhang, Qingbo Li, 

and Guangjun Zhang. July, p. 28. 

CHEMOMETRICS IN 

SPECTROSCOPY COLUMN 

“Classical Least Squares, Part IV: Spectroscopic 

Theory Continued,” in Chemometrics 

in Spectroscopy. Howard 

Mark and Jerome Workman, Jr. February, 

p. 26. 

“Classical Least Squares, Part V: Experimental 

Results,” in Chemometrics in 

Spectroscopy. Howard Mark and Jerome 

Workman, Jr. May, p. 12. 

“Classical Least Squares, Part VI: Spectral 

Results,” in Chemometrics in Spectroscopy. 

Howard Mark and Jerome 

Workman, Jr. June, p. 22. 

“Classical Least Squares, Part VII: Spectral 

Reconstruction of Mixtures,” 


Howard Mark and Jerome Workman, 

Jr. October, p. 24. 

CHEMOMETRICS 





p. 26. 














An Integration of Modified Uninformative 



Xiaojing Chen, Di Wu, and Yong 

He. April, p. 42. 

ENVIRONMENTAL ANALYSIS 





p. 30. 

“Underwater Mass Spectrometry,” in 

Mass Spectrometry Forum. Kenneth 

L. Busch. January, p. 30. 

EXPLOSIVES 

An Optical Nose Approach to Explosive 


Based Sensing. Tabetha Osborn, William 

A. Burns, Joshua Green, and Scott 

W. Reeve. January, p. 34. 

FOCUS ON QUALITY COLUMN 

“Is GMP Annex 11 Europe’s Answer to 

21 CFR 11?” in Focus on Quality. R.D. 

McDowall. April, p. 24. 

“Periodic Reviews of Computerized Systems, 

Part I,” in Focus on Quality. R.D. 

McDowall. September, p. 28. 


Part II,” in Focus on Quality. 

R.D. McDowall. November, p. 20. 

“USP and the GAMP Guide on 

Laboratory Computerized Systems — 

Is Integration Possible?” in Focus on 

Quality. R.D. McDowall and Chris 

Burgess. December, p. 14. 

FOOD AND BEVERAGE ANALYSIS 







Foods Using Cryogenic Grinding 

and Quantitation by ICP-MS, Part II. 

P. Atkins, L. Ernyei, W. Driscoll, R. 

Obenauf, and R. Thomas. February, 

p. 42. 

FORENSIC APPLICATIONS 

ICP-MS for Forensic Applications. Laura 

Bush. October, p. 57. 



FUELS 




Lowry. June, p. 30.


HISTORY 


The Baseline. David W. Ball. April, p. 16. 

ICP AND ICP-MS 





p. 30. 











p. 42. 


















p. 44. 






March, p. 26. 

IMAGING AND MICROSCOPY 

A Targeted Approach to Detect Controlled 

Substances in Suspect Tablets Using Attenuated 

Total Internal Reflection Fourier-Transform 

Infrared Spectroscopic 

Imaging. Adam Lanzarotta, Samuel 

Gratz, Thomas Brueggemeyer, and 

Mark Witkowski. February, p. 34. 

INFRARED SPECTROSCOPY 

“Analytical Vibrational Spectroscopy — 

NIR, IR, and Raman,” in Molecular 

Spectroscopy Workbench. Fran Adar. 







Developing a Career in FT-IR. Megan 

Evans. April, p. 58. 




Lowry. June, p. 30. 







Substances in Suspect Tablets 

Using Attenuated Total Internal Reflection 

Fourier-Transform Infrared 

Spectroscopic Imaging. Adam 

Lanzarotta, Samuel Gratz, Thomas 

Brueggemeyer, and Mark Witkowski. 




the Chemical Industry. Serena Stephenson, 


Baquero, Wendy Flory, Liane Mikolajczyk, 

and J.D. Tate. December, 

p. 21. 

INTERVIEWS 





LASERS AND OPTICS INTERFACE 

COLUMN 

“The Importance of Tight Laser Power 

Control When Working with Carbon 

Nanomaterials,” in Lasers and Optics 

Interface. Joe Hodkiewicz. July, p. 22. 


Interface. Laura Bush. April, 

p. 34. 


and Optics Interface. Youngjae Kim 

and Joseph Salhany. January, p. 24. 

LASERS 



“The Importance of Tight Laser Power 

Control When Working with Carbon 

Nanomaterials,” in Lasers and Optics 

Interface. Joe Hodkiewicz. July, p. 22. 






Review of the Third North American 

Symposium on Laser-Induced Breakdown 

Spectroscopy (NASLIBS) 2011 

Conference. Jose Almirall and Andrzej 

Miziolek. October, p. 48. 

LIBS 










MARKET ANALYSIS 

The Demand for Spectroscopy Instrumentation 

Continues Unabated. Lawrence 

S. Schmid. August, p. 12. 

The Spectroscopy Market Hits Its Stride. 

Lawrence S. Schmid. March, p. 36. 

2011 Salary Survey: The Upside of Science. 

Megan Evans. March, p. 30. 

MASS SPECTROMETRY FORUM 

COLUMN 

“Consequences of Finite Ion Lifetimes in 

Mass Spectrometry,” in Mass Spectrometry 

Forum. Kenneth L. Busch. 


“Detecting Ions in Mass Spectrometers 

with the Faraday Cup,” in Mass Spectrometry 

Forum. Kenneth L. Busch. 


“Hybrid Mass Spectrometers,” in Mass 

Spectrometry Forum. Kenneth L. 

Busch. March, p. 16. 

“Mass Spectrometry for First Responders,” 


Kenneth L. Busch. July, p. 12. 




MASS SPECTROMETRY 

Analysis of Toxic Trace Metals in Pet




and Quantitation by ICP-MS, Part 

I. P. Atkins, L. Ernyei, W. Driscoll, 

R. Obenauf, and R. Thomas. January, 

p. 46. 



and Quantitation by ICP-MS, Part 

II. P. Atkins, L. Ernyei, W. Driscoll, 

R. Obenauf, and R. Thomas. February, 

p. 42. 


Analysis,” in Atomic 

Perspectives. Kenneth Neubauer 

and Laura Thompson. May, p. 24. 

“Consequences of Finite Ion Lifetimes 

in Mass Spectrometry,” in Mass 


Busch. September, p. 12. 

“Detecting Ions in Mass Spectrometers 

with the Faraday Cup,” in Mass 


Busch. November, p. 12. 

“Hybrid Mass Spectrometers,” in Mass 


Busch. March, p. 16. 

“Mass Spectrometry for First Responders,” 


Kenneth L. Busch. July, p. 12. 

The Nature and Utility of Mass Spectra. 

Michael Balogh. February, p. 60. 



Using Attenuated Total Internal 

Reflection Fourier-Transform 

Infrared Spectroscopic Imaging. 

Adam Lanzarotta, Samuel Gratz, 

Thomas Brueggemeyer, and Mark 

Witkowski. February, p. 34. 





Trace Elemental Impurities 

in Pharmaceuticals in Compliance 

with Proposed Pharmacopeia Chapters,” 

in Atomic Perspectives. Matthew 

Cassup. March, p. 26. 

MEETING REPORTS 

Pittcon 2011 New Product Review. Howard 

Mark. May, p. 32. 






MOLECULAR SPECTROSCOPY 

WORKBENCH COLUMN 





“Entering Raman’s Realm,” in Molecular 


March, p. 22. 

“Graphene: Why the Nobel Prize and 

Why Raman?” in Molecular Spectroscopy 

Workbench. Fran Adar. February, 

p. 16. 

NEAR-IR SPECTROSCOPY 




















An Integration of Modified Uninformative 



Xiaojing Chen, Di Wu, and Yong 

He. April, p. 42. 






OPTICS 






PHARMACEUTICAL APPLICATIONS 

Emerging Raman Techniques for Rapid 

Noninvasive Characterization of Pharmaceutical 

Samples and Containers. 

Pavel Matousek, Fiona Thorley, Ping 

Chen, Michael Hargreaves, Craig 

Tombling, Paul Loeffen, Matthew 

Bloomfield, and Darren Andrews. 

March, p. 44. 












Using Attenuated Total Internal Reflection 

Fourier-Transform Infrared 

Spectroscopic Imaging. Adam 

Lanzarotta, Samuel Gratz, Thomas 

Brueggemeyer, and Mark Witkowski. 







March, p. 26. 






PROCESS CONTROL AND ANALYSIS 



the Chemical Industry. Serena Stephenson, 


Baquero, Wendy Flory, Liane Mikolajczyk, 

and J.D. Tate. December, 

p. 21. 

RAMAN SPECTROSCOPY 





Application of Raman Spectroscopy to 

Lubricants, Lubricated Surfaces, and 

Lubrication Phenomena. David W. 

Johnson. July, p. 46. 

Emerging Raman Techniques for Rapid 

Noninvasive Characterization of Pharmaceutical 

Samples and Containers. 

Pavel Matousek, Fiona Thorley, Ping 

Chen, Michael Hargreaves, Craig 

Tombling, Paul Loeffen, Matthew


Bloomfield, and Darren Andrews. 

March, p. 44. 

“Entering Raman’s Realm,” in Molecular 


March, p. 22. 

“Graphene: Why the Nobel Prize and 

Why Raman?” in Molecular Spectroscopy 

Workbench. Fran Adar. February, 

p. 16. 

Improved Principal Component Discrimination 

of Commercial Inks Using 

Surface-Enhanced Resonant Raman 

Scattering. Jeffrey Hirsch, Timothy O. 

Deschaines, and Todd Strother. October, 

p. 32. 




The pH Dependence of the SERS Spectra 

of Methyl Yellow in Silver Colloid. 

Zhen Long Zhang, Da Hu Chang, and 

Yu Jun Mo. June, p. 38. 

Raman Spectroscopy of Carbonaceous 

Materials: A Concise Review. Dorina 

Magdalena Chipara, Alin Cristian 

Chipara, and Mircea Chipara. October, 

p. 42. 

Raman Thermometry of Microdevices: 

Choosing a Method to Minimize 

Error. Thomas E. Beechem, and Justin 

R. Serrano. November, p. 36. 

REGULATORY ISSUES 





Part I,” in Focus on Quality. R.D. 

McDowall. September, p. 28. 


Part II,” in Focus on Quality. 

R.D. McDowall. November, p. 20. 






SAMPLE PREPARATION AND 

INTRODUCTION 











p. 42. 




Products. Kwan H. Nam, Robert Infantino 

, Gabe Isensee, Karol Putyera, 


SPECTROSCOPIC THEORY 





p. 26. 

“Little Points of Light,” in The Baseline. 

David W. Ball. January, p. 20. 


The Baseline. David W. Ball. April, p. 

16. 

“Maxwell’s Equations, Part II,” in The 

Baseline. David W. Ball. June, p. 14. 

“Maxwell’s Equations, Part III,” in The 

Baseline. David W. Ball. September, 

p. 18. 

“Maxwell’s Equations, Part IV,” in The 

Baseline. David W. Ball. December, 

p. 10. 

Raman Spectroscopy of Carbonaceous 

Materials: A Concise Review. Dorina 

Magdalena Chipara, Alin Cristian 

Chipara, and Mircea Chipara. October, 

p. 42. 

SUPPLEMENT: APPLICATIONS OF 

ICP & ICP-MS TECHNIQUES FOR 

TODAY’S SPECTROSCOPISTS 

The Determination of 226 Ra in Nontypical 

Soil Samples by ICP-MS. Teresa Switzer, 

Otto Herrmann, and Darko Ilic. 


Ensuring the Safety and Quality of Foodstuffs 

Produced in China: The Role of 

ICP-MS. Andrew Ryan and Robert 

Thomas. November, p. 28. 

Overcoming the Challenges Associated 

with the Direct Analysis of Trace Metals 

in Seawater Using ICP-MS. Shona 

McSheehy-Ducos. November, p. 22. 

Validating ICP-MS for the Analysis of 

Elemental Impurities According to 

Draft USP General Chapters 

and . Samina Hussain, Amir 

Liba, and Ed McCurdy. November, 

p. 14. 

SUPPLEMENT: CURRENT TRENDS 

IN MASS SPECTROMETRY 

Advanced Structural Mass Spectrometry 

for Systems Biology: Pulling the 

Needles from Haystacks. Jeffrey R. 

Enders, Cody R. Goodwin, Christina 

C. Marasco, Kevin T. Seale, John P. 

Wikswo, and John A. McLean. July, 

p. 18. 

Analytical Strategies in the Development 

of Generic Drug Products: The Role 

of Chromatography and Mass Spectrometry. 

Arindam Roy and Srinivasa 

Gorla. October, p. 29. 

Comparison of Extracts from Dry and 

Alcohol-Steamed Root of Polygonatum 

kingianum (Huang Jing) by 

Sub-2-µm-LC–TOF-MS. Kate Yu, 

Baiping Ma, HeShui Yu, Liping Kang, 

Jie Zhang, Yue Gao, and Alan Millar. 

March, p. 30. 

Comprehensive Analysis of Persistent Organic 

Pollutants in Complex Matrices 

Using GC with High-Performance 

TOF-MS. David E. Alonso, Joe Binkley, 

and Kevin Siek. July, p. 48. 

Creating a High-Throughput LC–MS-MS 

System Using Common Components. 

Lance Heinle and Gary Jenkins. October, 

p. 16. 

Determining High-Molecular-Weight 

Phthalates in Sediments Using GC– 

APCI-TOF-MS. Frank David, Pat Sandra, 

and Peter Hancock. May, p. 42. 

Food Metabolomics: Fact or Fiction? Leon 

Coulier, Albert Tas, and Uwe Thissen. 

May, p. 34. 

High-Definition Screening for Boar Taint 

in Fatback Samples Using GC–MS. 

Torsten Haas, Peter Boeker, Alun Cole, 

and Gerhard Horner. July, p. 38. 

High-Throughput Quantitative Analysis 

of Vitamin D Using a Multiple Parallel 

LC–MS System Combined with Integrated 

On-Line SPE. Adrian M. Taylor 

and Michael J.Y. Jarvis. May, p. 12. 

25-Hydroxyvitamin D 2 

/D 3 

Analysis in 

Human Plasma Using LC–MS. Phil 

Koerner and Michael McGinley. 

March, p. 8. 

Imaging Mass Spectrometry: Current 

Performance and Upcoming Challenges. 

Pierre Chaurand. July, p. 30. 

Mass Spectrometry Advances Fossilomics. 

John M. Asara. March, p. 18. 

Mass Spectrometry in Analytical Lipidomics. 

Luis Cuadros-Rodriguez,



Alegria Carrasco-Pancorbo, and 

Natalia Navas Iglesias. July, p. 8. 

Mass Spectrometry of Organic Molecules 

and Laser-Induced Acoustic 

Desorption: Applications, Mechanisms, 

and Perspectives. Alexander 

Zinovev and Igor Veryovkin. July, p. 

24. 

Matrix-Assisted Laser Desorption- 

Ionization Imaging Mass Spectrometry 

for Direct Tissue Analysis. 

J.D. Pallua, G. Schaefer, L.K. 

Bittner, C. Pezzei, V. Huck-Pezzei, 

S.A. Schoenbichler, S. Meding, S. 

Rauser, A. Walch, M. Handler, M. 

Netzer, M. Osl, M. Seger, B. Pfeifer, 

C. Baumgartner, H. Lindner, L. 

Kremser, B. Sarg, H. Klocker, G. 

Bartsch, G.K. Bonn, and C.W. Huck. 


Metabolomics Workflows: Combining 

Untargeted Discovery-Based and 

Targeted Confirmation Approaches 

for Mining Metabolomics Data. Theodore 

Sana, Steve Fischer, and Shane 

E. Tichy. March, p. 12. 

A New Path to High-Resolution HPLC– 

TOF-MS — Survey, Targeted, and 

Trace Analysis Applications of TOF- 

MS in the Analysis of Complex Biochemical 

Matrices. Jeffrey S. Patrick, 

Kevin Siek, Joe Binkley, Viatcheslav 

Artaev, and Michael Mason. May, p. 

18. 

On- and Off-Line Coupling of Separation 

Techniques to Ambient Ionization 

Mass Spectrometry. Li Li and 

Kevin Schug. October, p. 8. 

Probing Aqueous Surfaces by TOF- 

SIMS. Xiao-Ying Yu, Li Yang, Zihua 

Zhu, James P. Cowin, and Martin J. 

Iedema. October, p. 34. 

Responding to Data Analysis and Evaluation 

Challenges in Mass Spectrometry–Based 

Methods for High- 

Throughput Proteomics. Laurence 

M. Brill. March, p. 36. 

Review of the 59th Annual ASMS Conference. 

Megan Evans. July, p. 54. 

A Sensitive, Specific, Accurate, and Fast 

LC–MS-MS Method for Measurement 

of Ethyl Glucuronide and Ethyl 

Sulfate in Human Urine. Shuguang 

Li, Jeff Layne, Sky Countryman, and 

Michael McGinley. July, p. 42. 

Single Multipoint Calibration Curve 

for Discovery Bioanalysis. Benjamin 

Begley and Michael Koleto. 

May, p. 8. 

Time-Resolved SRM Analysis and 

Highly Multiplexed LC–MS-MS for 

Quantifying Tryptically Digested 

Proteins. Richard G. Kay, James W. 

Howard, and Steve Pleasance. March, 

p. 24. 

Why Use Signal-To-Noise As a Measure 

of MS Performance When It Is Often 

Meaningless? Greg Wells, Harry 

Prest, and Charles William Russ IV. 

May, p. 28. 

SUPPLEMENT: DEFENSE AND 

HOMELAND SECURITY 

Advances in Spectroscopy for Detection 

and Identification of Potential Bioterror 

Agents. Eric W. Fisher. April, p. 

29. 

Detecting Explosives by Portable 

Raman Analyzers: A Comparison 

of 785-, 976-, 1064-, and 1550-nm 

(Retina-Safe) Laser Excitation. Michael 

Donahue, Hermes Huang, Carl 

Brouillette, Wayne Smith, and Stuart 

Farquharson. April, p. 24. 

Detection of Chemicals with Standoff 

Raman Spectroscopy. Anupam K. 

Misra, Shiv K. Sharma, Tayro E. 

Acosta, and David E. Bates. April, 

p. 18. 

Explosives Sensing Using Multiple 

Optical Techniques in a Standoff 

Regime with a Common Platform. 

Alan R. Ford, Robert D. Waterbury, 

Darius M. Vunck, Jeremy B. Rose, 

Thomas B. Blank, Ken R. Pohl, 

Troy A. McVay, Edwin L. Dottery, 

Mikella E. Hankus, Ellen L. 

Holthoff, Paul M. Pellegrino, Steve 

D. Christesen, and Augustus W. 

Fountain III. April, p. 6. 

Mid-Infrared Vibrational Spectroscopy 

Standoff Detection of Highly Energetic 

Materials: New Developments. 

Samuel P. Hernández-Rivera, John R. 

Castro-Suarez, Leonardo C. Pacheco- 

Londoño, Oliva M. Primera-Pedrozo, 

Nicolas Rey-Villamizar, Miguel 

Vélez-Reyes, and Max Diem. April, 

Digital Edition. 

Monitoring of Biological Matrices by 

GC–MS-MS for Chemical Warfare 

Nerve Agent Detection. Jeffrey M. 

McGuire, Jr., Edward M. Jakubowski, 

and Sandra A. Thomson. April, p. 12. 

SUPPLEMENT: FT-IR TECHNOLOGY 

FOR TODAY’S SPECTROSCOPISTS 

Contact and Orientation Effects in 

FT-IR ATR Spectra. Richard Spragg. 


GPC-IR Hyphenated Technology to 

Characterize Copolymers and to 

Deformulate Complex Polymer Mixtures 

in Polymer-Related Industries. 

William W. Carson and Ming Zhou. 


NIR Monitoring of a Hot-Melt Extrusion 

Process. Brandye Smith-Goettler, 

Colleen M. Gendron, Neil MacPhail, 

Robert F. Meyer, and Joseph X. Phillips. 

August, p. 8. 

Using Real-Time FT-IR to Characterize 

UV Curable Optical Adhesives. Steve 

Lowry and Forrest Weesner. August, 

p. 40. 

SUPPLEMENT: RAMAN 

TECHNOLOGY FOR TODAY’S 

SPECTROSCOPISTS 

Comparison of Laboratory and Handheld 

Raman Instruments for the Identification 

of Counterfeit Medicines. Sulaf 

Assi, Robert Watt, and Tony Moffat. 

June, p. 36. 

Looking Below the Surface of Breast 

Tissue During Surgery. Anita Mahadevan-Jansen, 

Matthew D. Keller, 

Elizabeth Vargis, Brittany Caldwell, 

The-Quyen Nguyen, Nara de Matos 

Granja, Melinda Sanders, and Mark 

C. Kelley. June, p. 48. 

Raman Spectroscopy of Supported Lipid 

Bilayer Nanoparticles. Selver Ahmed, 

Stephanie L. Wunder, and Zhorro S. 

Nickolov. June, p. 8. 

Raman Spectroscopy Using a Fixed-Grating 

Spatial Heterodyne Interferometer. 

Nathaniel R. Gomer, Christopher M. 

Gordon, Paul Lucey, Shiv K. Sharma, J. 

Chance Carter, and S. Michael Angel. 

June, p. 22. 

X-RAY SPECTROSCOPY 

The Dynamic World of X-ray Fluorescence. 

Laura Bush. July, p. 40. ◾ 

For more information on this topic, 

please visit our homepage at: 

www.spectroscopyonline.com

36 SpectroScopy corporAte cApABILItIeS DECEMBER 2011 

1st Detect Corp 


Company Description 

1st Detect Corp, a division of Astrotech Corp., is leveraging advances in chemical detection technology 

from the space program to offer highly advanced, next generation chemical detection and analysis 

instrumentation. 

Chief Spectroscopic Techniques Supported 

⦁ Miniature mass spectrometry 

1st Detect Corp 

907 Gemini Ave 

Houston TX 77058 

Telephone 

(972) 617-9939 

FAx 

(713) 558-5963 

e-mAIl 

info@1stdetect.com 

Web sITe 

www.1stdetect.com 

usA employees: 

16 

Markets Served 

⦁ Security, Defense 

⦁ Industrial process control 

⦁ Petrochemical 

⦁ Pharmceutical 

⦁ Environmetal 

Major Products/Services 

The Miniature Chemical Detector from 1st Detect is an ion-trap mass spectrometer designed for 

field-portable and benchtop applications such as industrial process control, security and defense, 

first response and critical infrastructure monitoring, and medical diagnostics and analysis. The instrument 

has a weight of 15 lb, a mass range of 10–450 amu, and a resolution of less than 1 amu. 

It provides ppb level analysis in less than 2 s, with ppt analysis in 30 s with the optional preconcentrator. 

The instrument can be operated with power supplies including 120/240 V AC, 24 V DC, or 

supplied batteries. 

employees ouTsIDe usA: 

2 

yeAr FounDeD 

2007


Agilent Technologies, Inc. 

DECEMBER 2011 SpectroScopy corporAte cApABILItIeS 37 


5301 Stevens Creek Blvd 

Santa Clara, CA 95052 

Telephone 

(800) 227-9770 

FAx 

(302) 633-8901 

e-mAIl 

cag_sales-na@agilent.com 

Web sITe 

www.agilent.com 

number oF us employees 

6000 

employees ouTsIDe usA 

12,500 

yeAr FounDeD 

1999 


Agilent Technologies, Inc. (NYSE:A) is a global leader of measurement 

technology for life sciences, chemical analysis, communciations, 

and electronics. The company’s 18,500 

employees serve customers in more than 110 countries. In 

fiscal 2010, Agilent had net revenues of $5.4 billion USD. 

Agilent’s life sciences group and chemical analysis group are 

leading global providers of instrumentation, consumables, 

software, and services to analytical chemistry and life science 

research laboratories. 


⦁ GC 

⦁ GC–MS 

⦁ LC 

⦁ LC–MS 

⦁ SFC 

⦁ Capillary electrophoresis 


⦁ Food safety and quality 

⦁ Environmental testing 

⦁ Energy/petrochemical 

⦁ Forensics 

⦁ Pharmaceutical 

⦁ Materials science 

⦁ Drug discovery 

⦁ Genomics 

⦁ Proteomics 

⦁ Metabolomics 

⦁ Emerging life sciences 

⦁ Integrated biology 


1200 Infinity LC systems (including 1290 

UHPLC); 7890A GC; 5975C GC–MS; 7000 

Series Triple Quadrupole GC–MS; 6100 

Series Single Quadrupole LC–MS; 6200 

Series Accurate Mass Mass TOF LC–MS; 

6400 Series Triple Quadrupole LC–MS; 

6500 Series Accruate Mass Q-TOF LC–MS; 

7500 Series ICP-MS; OpenLAB chromatography 

data systems; OpenLAB ELN electronic 

lab notebook; OpenLAB Enterprise 

Content Management System; Automation 

systems for life sciences; Genomic microarrays, 

target enrichment and reagents; 

GeneSpring bioinformatics; qPCR; NMR 

and MRI systems; Services and support; 

Vacuum systems. 

Facility 

Major facilities in Santa Clara, California; 

Wilmington, Delaware; Waldbronn, 

Germany; Tokyo, Japan; and Shanghai, 

China.

38 SpectroScopy corporAte cApABILItIeS DECEMBER 2011 www.spectroscopyonline.com 

ABB Analytical Measurements 


⦁ Laboratory and academic 

⦁ Life sciences 


⦁ Fine chemicals, specialty chemicals, 

and commodity chemicals 

⦁ Refining and petrochemicals 

⦁ Metallurgical 

⦁ Semiconductor 

⦁ Original equipment manufacturer 

(OEM) 

⦁ Remote sensing and aerospace 

Abb Analytical 

measurements 

585 boul. Charest E. 

Suite 300 

Quebec, QC G1K 9H4 

Canada 

Telephone 

(418) 877-2944 

FAx 

(418) 877-2834 

e-mAIl 

ftir@ca.abb.com 

Web sITe 

www.abb.com/analytical 

number oF employees 

200 

yeAr FounDeD 

1973 


ABB Analytical Measurements enables scientists around the 

world to perform through excellence in infrared spectroscopy. 

ABB is a market leader in Fourier transform infrared (FT-IR and 

FT-NIR) in terms of reliability and reproducibility. ABB Analytical 

designs, manufactures, and markets high-performance, affordable 

spectrometers as well as turnkey analytical solutions and 

spectroradiometers for remote sensing. ABB Analytical 

capabilities encompass one of the largest portfolios in the world 

for laboratory, at-line, and process FT-IR analyzers. They perform 

real-time analysis of the chemical composition and/or physical 

properties of a process sample stream. 


⦁ FT-IR 

⦁ FT-NIR 

⦁ Spectroradiometry and remote sensing 

⦁ Dedicated team of engineers offering simple and 

dependable solutions with reliable instruments 

⦁ Local point of contact for field service and technical 

support in most countries around the world with 

inventories for parts on all continents 


ABB’s advanced solutions combine 

analyzers, advanced process control, data 

management, and process and application 

knowledge to improve the operational 

performance, productivity, capacity, 

and safety of industrial processes for 

customers. For all laboratory or process 

needs, ABB can be your partner and single-source 

provider of simple, low-cost, 

high performance, general-purpose FT-IR 

and FT-NIR spectrometers. The company 

also markets analyzers for hydrogen and 

inclusion measurement in liquid 

aluminum. 

Facility 

Our manufacturing facility located in 

Quebec City, Canada, employs more than 

200 people, including R&D, manufacturing, 

marketing, sales, and administrative groups. 

The ABB Group of companies operates in 

around 100 countries and employs about 

130,000 people.

FT-NIR QA software with intuitive workflow 

and superior ease of use? 

Absolutely. 

Intuitive workflow with integrated MB3600 instrument and accessory control 

make running QA applications simple for your operators and reliable for you. 

From collecting reference data and designing your QA applications to deployment 

of turnkey QA methods Horizon MB QA will guide you every step of the way. 

Support for customized messages in any language makes your operators feel 

right at home from day one. 

Horizon MB QA brings intuitive workflows and superior ease of use 

to QA method development and deployment. 

Discover how ABB helps its customers overcome their technical challenges: 

www.abb.com/analytical 

ABB Analytical Measurement 

Phone: +1 418-877-2944 

1 800 858-3847 (North America) 

Email: ftir@ca.abb.com


Amptek, Inc. 

Completing Amptek’s XRF portable 

solutions for exact measurements are the 

USB controlled Mini-X X-ray tube and the 

XRF-FP Quantitative Analysis Software. 

Please visit our web site for complete 

specifications. 

Amptek, Inc. 

14 DeAngelo Drive 

Bedford, MA 01730 

Telephone 

( 781) 275-2242 

FAx 

( 781) 275-3470 

e-mAIl 

sales@amptek.com 

Web sITe 

www.amptek.com 


47 

yeAr FounDeD 

1977 


Amptek, Inc. is a recognized world leader in the design 

and manufacture of state-of-the-art X-ray and gamma ray 

detectors, preamplifiers, instrumentation, and components 

for portable instruments, laboratories, satellites, and analytical 

purposes. These products provide the user with high 

performance and high reliability together with small size 

and low power. 


X-ray fluorescence (EDXRF), direct spectral measurements, 

SEM, PIXE, and TXRF. 


Amptek serves wherever X-ray detection is used; for example, 

hand-held and table-top XRF analyzers produced by OEMs; 

research facilities in universities, commercial enterprises 

and the military; nuclear medicine; space; museums; 

environmental monitoring; and geological analysis of soils 

and minerals. 


Models Super XR-100SDD and XR-100CR are high 

performance X-ray detector systems featuring a wide range of 

detection areas and efficiency; resolution of 125 eV FWHM; 

and solid-state design. Power and shaping are provided by 

the PX5 Digital Pulse Processor. The XR-100 successfully analyzed 

the rocks and soil on Mars. 

The X-123 is a complete X-ray detector system in one 

small box that fits in your hand. The X-123 incorporates 

either the Amptek Si-Pin Diode Detector or Super Silicon 

Drift Detector; Charge Sensitive Preamplifier; the Amptek 

DP5 Digital Pulse Processor and MCA; and the Amptek PC5 

Power Supply. This small, low power, easy to operate, highperformance 

instrument is ideal for both the laboratory and 

OEM industries. 

Applications 

⦁ X-Ray fluorescence 

⦁ Process control 

⦁ OEM instrumentation 

⦁ RoHS/WEEE compliance testing 

⦁ Nondestructive analysis with XRF 

⦁ Restricted metals detection 

⦁ Environmental monitoring 

⦁ Medical and nuclear electronics 

⦁ Heavy metals in plastics 

⦁ Lead detectors 

⦁ Toxic dump site monitoring 

⦁ Semiconductor processing 

⦁ Nuclear safeguards verification 

⦁ Plastic & metal separation 

⦁ Coal & mining operations 

⦁ Sulfur in oil and coal detection 

⦁ Smoke stack analysis 

⦁ Plating thickness 

⦁ Oil logging 

⦁ Electro-optical systems 

⦁ Research experiments & teaching 

⦁ Art and archaeology 

⦁ Jewelry analysis

X-Ray Detectors 

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APPLICATIONS 

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AMPTEK Inc. 

www.amptek.com


Andor Technology 

Andor Technology 

7 Millennium Way 

Springvale Business Park 

Belfast BT12 7AL 

United Kingdom 

Telephone 

(800) 296-1579 

e-mAIl 

marketing@andor.com 

Web sITe 

www.andor.com 


321 

employees ouTsIDe usA 

270 

yeAr FounDeD 

1989 


Andor Technology is a world leader in the manufacturing of 

high performance VUV to SWIR modular spectroscopy 

detection solutions. Based around best-in-class, researchgrade 

CCDs, exclusive electron multiplying CCDs and 

intensified CCD detectors, as well as seamlessly configurable 

spectrographs and dedicated spectroscopy software, Andor’s 

robust detection solutions offer a unique combination of sensitivity, 

speed, and ease of use. Andor’s core technology 

Ultravac TM combines with the latest cutting-edge technology 

in the fields of sensors, electronics, optic, and software to 

deliver world-class, market-leading scientific spectroscopy 

detection systems to academics and industrial integrators. 


⦁ Absorption – transmission – reflection (UV-NIR and SWIR) 

⦁ Raman (244 to 1064 nm) 

⦁ Fluorescence – luminescence (UV-NIR and SWIR) 

⦁ Micro-Raman and Micro-fluorescence 

⦁ Photon counting 

⦁ Single molecule spectroscopy 

⦁ Plasma studies 

⦁ Laser induced breakdown spectroscopy (LIBS) 


In the analytical and life sciences markets, Andor products 

are particularly suited to fundamental research in the field of 

biology, nanotechnology, material characterization (polymers, 

semi-conductors), chemical analysis, and astronomy, as well 

as industrial applications such as food and safety, process 

control, drug screening, forensic, environment/water monitoring, 

and solar panel inspection. 


Andor’s spectroscopy range features a high 

performance CCD platform (Newton) with 

dedicated spectroscopy EMCCD for rapid, 

light-starved applications. Andor’s most 

popular CCD/InGaAs platform is the iDus, 

for all general spectroscopy applications, 

alongside the market leading ICCD 

camera, iStar, for ns gated applications. 

The Shamrock family is Andor’s versatile 

spectrograph platform, with USB 

connectivity and seamless configuration 

with a wide range of accessories, including 

fiber optics bundles, and interface to 

microscopes. Solis software boasts a 

dedicated interface, integrating data 

acquisition and cameras/spectrometers 

simultaneous control. Andor’s X-Ray 

detector range features a wide range of 

direct/indirect detection options on the 

Newton and iKon platform. 

Facility 

Andor’s purpose-built 4650 m 2 

(50,000-square-foot) headquarters is 

based in Belfast, Northern Ireland. It 

hosts state-of-the-art 3000-square-foot 

Class 1000 and 100 clean rooms, and 

also provides a unique, 6-Sigma driven 

environment for streamlining of products 

design, manufacturing, and thorough QC 

testing of each system prior to shipment.

www.spectroscopyonline.com DECEMBER 2011 SpectroScopy corporAte cApABILItIeS 43 

Applied Photophysics 

Applied photophysics 

21 Mole Business Park 

Leatherhead, Surrey 

KT22 7BA 

United Kingdom 

Telephone 

+44 (0) 1372 386537 

Toll-free (from USA only) 

(800) 543-4130 

e-mAIl 

Sales Department: 

sales@ photophysics.com 

Technical Support: 

support@ photophysics.com 

Web sITe 

www.photophysics.com 

yeAr FounDeD 

1971 


Applied Photophysics (APL) has firmly established itself as a 

global developer and manufacturer of high quality, high performance, 

modern spectrometers by providing cutting-edge solutions 

and world-class support for bioscience and biopharmaceutical 

research both in academia and industry. From research through 

development to production, our scientific expertise and innovative 

solutions help life science researchers to understand complex biological 

systems, allowing them to be at the forefront of discovery. 


⦁ Circular dichroism (CD) spectroscopy 

⦁ Stopped-flow spectroscopy 

⦁ Laser-flash spectroscopy 


APL offers precision spectrometers to academic and industrial 

markets. The Chirascan range of CD spectrometers are now the 

instruments of choice for use in drug development, formulation 

testing, and quality control. The SX20 and LKS80 spectrometers 

are established leaders for stopped-flow and laser-flash research, 

addressing applications in protein structure, folding, and conformation, 

together with biomolecular reaction kinetics and the study 

of chemical reaction mechanisms. 


Chirascan and Chirascan-plus (CD) spectrometers 

Outstanding sensitivity, novel detection technology, powerful 

software combine to make these CD spectrometers the world’s 

most advanced. 

NEW Chirascan-plus ACD spectrometer 

The world’s first and only ultra-sensitive, 

high-speed, automated CD spectrometer. 

This unique instrument significantly extends 

the scope and range of CD applications and 

delivers a minimum 50-fold increase in 

operator productivity. 

SX20 stopped-flow spectrometer 

The SX20 is the market-leading stopped-flow 

reaction analyzer capable of measuring fast 

reactions with a minimum of material. 

LKS80 nanosecond laser-flash 

photolysis spectrometer 

The new LKS80 offers even higher 

sensitivity than earlier models for studying 

by direct measurement the reactions of transient 

species such as radicals, excited states 

or ions, in chemical and biological systems. 

RX2000 rapid-mixing stopped-flow unit 

Adds stopped-flow rapid reaction kinetics to 

any UV-visible spectrometer or fluorometer. 

Pro-Data software 

All our products use a common software 

suite giving cross-platform compatibility. 

Accessories 

Maximize the capabilities and take full 

advantage of the potential built into your 

instrument with a wide range of accessories. 

Customer Support 

Support is provided for the lifetime of the 

product and every instrument comes with a 

warranty of at least 12 months that can be 

easily extended. A world-class service team is 

on hand for support and applications advice. 

Facilities 

Headquartered close to London, United 

Kingdom. APL has recently opened offices 

in China and the United States. See 

www.appliedphotophysics.com/company/authorized-agents 

for our worldwide 

distribution network.


Avantes, Inc. 

developing research and teaching opportunities. 

Our OEM program is designed to work with 

our customers to identify needs and customize 

an Avantes’ spectroscopy solution based our 

customer’s needs and Avantes technical know 

experience. Avantes’ continued growth is based 

upon a commitment to providing exceptional 

technology and superb customer satisfaction. 

Avantes, Inc. 

9769 W. 119th Ave., Suite 4 

Broomfield, CO 80021 

Telephone 

(303) 410-8668 

FAx 

(303) 410-8669 

e-mAIl 

infoUSA@avantes.com 

Web sITe 

www.avantes.com 


50 

yeAr FounDeD 

1993 


Avantes is a leading innovator in the development and 

application of miniatures pectrometers. Avantes continues 

to develop and introduce new instruments for fiber optic 

spectroscopy to meet our customer’s application needs. 

Avantes instruments and accessories are also deployed 

into a variety of OEM applications in a variety of industries 

in markets throughout the world. With more than 15 years 

of experience in fiber optic spectroscopy and thousands 

of instruments in the field, Avantes is eager to help our 

customers find their Solutions in Spectroscopy ® . 

Principal Spectroscopic Techniques Supported 

⦁ UV–vis/NIR spectroscopy 


⦁ Absorbance/transmittance/reflectance 

⦁ Laser-induced breakdown spectroscopy 

⦁ CIE color spectroscopy 

⦁ Portable spectrometers 

⦁ Fluorescence spectroscopy 

⦁ Custom applications 

⦁ Irradiance 

⦁ Raman spectroscopy 

⦁ OEM application development 


Avantes works with customers in a variety of markets, including 

chemical, biomedical, aerospace, semiconductor, gemological, paper, 

pharmaceutical, and food processing technology. Additionally, 

Avantes works with research organizations and universities, aiding in 


Low-cost, high-resolution, miniature 

fiber optic spectrometers: 

System solutions and OEM instruments 

for applications from 185 nm to 2500 

nm. Detector choices: PDA, CMOS, CCD, 

back-thinned CCD, and InGaAs. Optical 

benches with focal lengths of 45, 50 or 75 

mm; revolutionary new ultra-low straylight 

optimized optical bench (ULS) and a new 

high sensitivity optical bench. Other features: 

14 and 16 bit A/D converters, TE cooling, 

multi-channel instrument configurations 

enabling simultaneous signal acquisition, 

USB2 communication, support for multiple 

instruments from a single computer, and 14 

programmable digital I/O ports. 

Standard application solutions: 

Irradiance and LED measurements, 

gemology, hemometric analysis, thin-film 

measurement, color, fluorescence, laserinduced 

breakdown spectroscopy, Raman 

spectroscopy, and process control. 

Light sources: 

Tungsten-halogen, Deuterium, LED, and 

Xenon calibration sources for wavelength 

and irradiance. 

Facility 

Avantes engineering, manufacturing, 

sales, and service headquarters is in the 

Netherlands. The company also operates 

direct offices in China and North America. In 

addition, Avantes has a growing worldwide 

distribution network of more than 35 

qualified distributors to meet our customer’s 

needs worldwide.


B&W Tek, Inc. 



⦁ Fiber coupled spectrometer modules 

⦁ Diode and DPSS Lasers 

⦁ Laboratory, portable, and handheld 

Raman spectrometers 

⦁ Customized design and development 

services 

⦁ Customized photonic instrumentation 

manufacturing 

Facilities 

B&W Tek boasts three United States facilities 

in Delaware (2) and New Jersey (1), a sales 

office in Lubeck, Germany, two facilities in 

Shanghai, China, and another office in 

Saitama, Japan. Most of our engineering, 

design, and manufacturing takes place in our 

Newark, Delaware headquarters location. 

b&W Tek, Inc. 

19 Shea Way 

Newark, DE 19713 

Telephone 

(302) 368-7824 

FAx 

(302) 368-7830 

e-mAIl 

sales@bwtek.com 

Web sITe 

www.bwtek.com 


USA: 80 

Elsewhere: 100 

yeAr FounDeD 

1997 


B&W Tek is an advanced instrumentation company producing 

optical spectroscopy, laser instrumentation, and portable/lab 

grade Raman systems. B&W Tek provides spectroscopy and 

laser solutions for the pharmaceutical, biomedical, physical, 

chemical, LED lighting, and research communities. Our commitment 

to innovating solutions has made B&W Tek a leader 

in Raman spectroscopy solutions worldwide. With a strong 

vertical integration capability, B&W Tek, Inc. also provides 

custom product development, design, and manufacturing. In 

addition, B&W Tek has recently introduced the NanoRam TM , 

the most sensitive and repeatable handheld Raman 

spectrometer ever designed for identifying harmful, nonconforming 

materials before they reach production. 


⦁ UV 

⦁ Visible 

⦁ NIR 

⦁ Raman 

⦁ Microscopy 


B&W Tek provides solutions for analytical, industrial, medical, 

biophotonic, and diagnostic applications. Our products are used 

in markets such as semiconductor, solar, pharmaceuticals, LED 

lighting, specialty chemicals, academic labs, government labs, and 

medical and biomedical development and manufacturing.


Bruker Daltonics 


Bruker Daltonics’ mass spectrometers are 

a powerful tool for a wide variety of 

applications with different analytical 

challenges. 

Our analytical systems combine high 

performance mass spectrometers, 

software, and accessories to deliver 

answers for a broad range of areas 

including: 

⦁ Proteomics and protein analysis 

⦁ Clinical diagnostics 

⦁ Drug metabolism studies 

⦁ Food/environmental applications 

⦁ Chemistry support and chemical analysis 

⦁ Petroleomics 

⦁ Forensics 

bruker Daltonics 

40 Manning Road 

Billerica, MA 01821 

Telephone 

(978) 663-3660 

FAx 

(978) 667-5993 

e-mAIl 

ms-sales@bdal.com 

Web sITe 

www.bruker.com/ms 


Bruker Daltonics provides a variety of innovative mass 

spectrometry systems. Our powerful, yet easy to implement, 

products are specifically designed to meet the rapidly 

growing needs of customers in the academic, pharmaceutical, 

industrial, and clinical areas. 

Consistently and expertly supported, our turn-key system 

solutions and complete workflows offer integrated instrument 

and software tools which enhance the productivity and 

capabilities of any analytical operation. 

Bruker Daltonics product lines include platforms representing 

many types of separation technologies and mass 

spectrometry including: 

⦁ Matrix assisted laser desorption ionization time-of-flight 

mass spectrometer (MALDI-TOF and MALDI-TOF/TOF) 

⦁ Electrospray ionization (ESI), ion trap mass spectrometer 

⦁ ESI-TOF, and ESI-quadrupole TOF (qTOF) mass spectrometers 

⦁ Ultra high resolution TOF (UHR-TOF) mass spectrometer 

⦁ Fourier transform mass spectrometer (FTMS) 

⦁ Inductively coupled plasma mass spectrometer (ICP-MS) 

⦁ Gas chromatograph with single and triple quadrupole mass 

spectrometer (GC–MS) 

⦁ Gas chromatograph (GC) 

⦁ Nano-LC 

Facilities 

Bruker Daltonics is headquartered in 

Billerica, Massachusetts with a sales, 

service, and applications facility in 

Fremont, California, as well as major 

facilities in Germany (Bremen and Leipzig) 

and the United Kingdom. A global network 

of demonstration, sales, and service sites 

provides complete worldwide support for 

all our products and services.

Setting the Benchmark 

in ICP-MS: aurora m90 

Bruker continues to find new and novel ways to meet your changing 

needs. As a leader in elemental analysis you can be assured that when 

you buy a Bruker ICP-MS, you’re buying more than just an instrument. 

You’re buying a relationship with one of the most respected and 

experienced instrument companies in the world. 

Contact us today at ms-sales@bdal.com or visit us on the web at 

www.bruker.com/ms 

Innovation with Integrity 

ICP-MS


Bruker Corporation 

⦁ Nuclear magnetic resonance (NMR) 

⦁ Electron paramagnetic resonance 

(EPR) 

⦁ Magnetic resonance imaging (MRI) 

⦁ Low resolution benchtop NMR 

analyzers 

⦁ X-ray crystallography (SC-XRD) 

⦁ X-ray diffraction (XRD) 

⦁ X-ray fluorescence (XRF) 

⦁ Handheld X-ray (XRF) spectrometers 

⦁ X-ray microanalysis (EDS, EBSD) 

⦁ Optical emission spectroscopy (OES) 

⦁ CS/ONH-Analysis 

⦁ Atomic force microscopy (AFM) 

⦁ Scanning probe microscopy (SPM) 

⦁ Stylus and optical metrology 

bruker Corporation 

40 Manning Road 

Billerica, MA 01821 

Telephone 

(978) 663-3660 

FAx 

(978) 667-5993 

e-mAIl 

info@bruker.com 

Web sITe 

www.bruker.com 


The Bruker name has become synonymous with the excellence, 

innovation, and quality that characterizes our comprehensive 

range of scientific instrumentation. Our solutions 

encompass a wide number of analytical techniques ranging 

from magnetic resonance to mass spectrometry, to optical 

and X-ray spectroscopy. 

These market- and technology-leading products are driving 

and facilitating many key application areas such as life 

science research, pharmaceutical analysis, applied analytical 

chemistry applications, materials research and nanotechnology, 

clinical research, molecular diagnostics, and homeland 

defense. 

Visit our website to discover more about our technologies 

and solutions. 

Bruker — Innovation with Integrity! 


⦁ FT-infrared spectroscopy and microscopy (FT-IR) 

⦁ FT-near infrared spectroscopy (FT-NIR) 

⦁ Raman spectroscopy and microscopy 

⦁ Terahertz spectroscopy and imaging 

⦁ Liquid chromatography–mass spectrometry (LC–MS) 

⦁ FT-mass spectrometry (FTMS) 

⦁ MALDI-TOF (/TOF) mass spectrometry 

⦁ Inductively coupled plasma mass spectrometry (ICP-MS) 

⦁ Gas chromatography–mass spectrometry (GC–MS) 

⦁ Ion mobility spectrometry (IMS)


CVI melles Griot lasers 

2051 Palomar Airport Road, 200 

Carlsbad, CA 92011 

Telephone 

(760) 438-2131 

e-mAIl 

lasers@cvimellesgriot.com 

CVI melles Griot 

optics & Assemblies: 

200 Dorado Place SE 

Albuquerque, NM 87123 

Telephone 

(505) 296-9541 

e-mAIl 

optics@cvimellesgriot.com 

Web sITe 

www.cvimellesgriot.com 

AsIA 

+81 3 3407-3614 

europe 

+31 316 333 041 

CVI Melles Griot 


CVI Melles Griot is a leading global supplier of OEM and fast 

turn catalog photonics products including lasers at over 38 

wavelengths, optics, coatings covering the deep ultraviolet 

to the infrared, opto-mechanics, and positioning equipment. 

The company’s unique breadth of manufacturing and design 

expertise in electronics, lasers, optics, coatings, and thermal 

management is evident in everything from simple components 

to precision integrated electro-optic assemblies. 


⦁ Spectroscopy; Microscopy 

⦁ Capillary electrophoresis 

⦁ Biotech/Medical 

⦁ Laser-induced fluorescence 


⦁ Particle characterization 

⦁ Semiconductor 

⦁ Non-contact inspection 

⦁ Industrial 

⦁ Interferometry 

⦁ Environmental 

⦁ Velocimetry 

⦁ Government/Military 


⦁ Design, development, and manufacturing on 3 continents 

⦁ Lasers, optics, thin films, mechanics, drive electronics 

⦁ Over 39 years of volume production 

⦁ Over 2.9 million lasers and 120 million optics shipped 

⦁


EDAX, Inc. 

eDAx, Inc. 

91 McKee Drive 

Mahwah, NJ 07430 

Telephone 

(201) 529-4880 

FAx 

(201) 529-3156 

e-mAIl 

info@amtek.com 

Web sITe 

www.edax.com 

yeAr FounDeD 

1962 


EDAX, Inc. is an ISO-9001 certified manufacturer with over 50 

years of experience building instrumentation for the elemental 

and structural analysis of materials. EDAX’s founding technology 

was the detection and measurement of fluorescent X-rays for 

qualitative and quantitative elemental analysis — for example, 

elemental analysis on electron beam microscopes. Since that 

time, EDAX has sought to expand our product offering through 

new technologies and complementary techniques to provide our 

customers with the latest analytical instrumentation available. 

EDAX continues to be a world leader in materials analysis 

providing both stand-alone micro-XRF systems and microscopemounted 

tools. 


⦁ Energy dispersive spectroscopy 

⦁ Energy dispersive X-ray fluorescence 

⦁ Electron back scatter diffraction 

⦁ Wavelength dispersive spectroscopy 


EDAX instrumentation for elemental and structural analysis is 

found in a broad spectrum of industrial, academic, and government 

applications from the field or warehouse to the most 

advanced research and development laboratory. Typical markets 

served include semiconductor and microelectronics, academic, 

and industrial R&D laboratories, ROHS/WEEE, renewable energy, 

pharmaceuticals, mining, security, forensics, catalysts, 

petrochemicals, metallurgy, and manufacturing operations. 


⦁ Energy dispersive X-ray fluorescence: 

EDAX manufactures micro XRF 

analyzers for the laboratory. 

⦁ Electron backscatter diffraction: EDAX 

supplies instrumentation for materials 

structural analysis on SEM electronbeam 

microscopes. 

⦁ Energy dispersive spectroscopy: EDAX 

provides a full range of EDS products 

for elemental analysis on SEM and TEM 

electron-beam microscopes. 

⦁ Wavelength dispersive spectroscopy: 

EDAX offers parallel beam WDS products 

for elemental analysis on SEM 

electron-beam microscopes. 

⦁ Fluorescent X-ray detectors: EDAX 

supplies Si(Li) detectors and silicon drift 

detectors, which are capable of handling 

count rates of over 1,000,000 cps 

and parallel beam wavelength 

dispersive spectrometers. 

Facilities 

EDAX headquarters is located in Mahwah, 

New Jersey, housing sales, technical 

support, and manufacturing operations. 

EDAX is committed to providing the best 

possible support for our customers worldwide 

with sales, service, and applications 

support offices located in Japan, China, 

Singapore, The Netherlands, Germany, the 

United Kingdom, and the United States.

is Puts a New Spin on 

Micro XRF Analysis Versatility 

on-Destructive 

Micro to Millimeter 

Spot Elemental Analysis 

Using Primary Beam 

Filters on a Wide Range 

of Sample Types 

Forensics 

Trace Evidence, Solids, Residues, 

Powders, Liquids 

Industrial 

RoHS-WEEE, Quality Control, Failure Analysis, 

Coating Thickness/Composition 

Antiquities/Museum 

Artifact Authentication, Gemstones, Documents


Edinburgh Instruments 


⦁ Fluorescence spectrometers (lifetime, 

phosphorescence only) 

⦁ Laser flash photolysis spectrometers 

⦁ CO and CO 2 

lasers 

⦁ Pulsed gas lasers 

⦁ Optically pumped lasers 

⦁ Picosecond light sources 

Facilities 

Edinburgh Instruments (EI) is now located 

in purpose built 12,800-square-foot facilities 

just outside Edinburgh, United Kingdom, 

where it employs over 70 people. 

The company is involved in the development, 

manufacture, and sale of a wide 

range of high technology products for the 

scientific research and industrial markets. 

edinburgh Instruments 

2 Bain Square 

Kirkton Campus 

Livingston EH547DQ 

UK 

Telephone 

44(0) 1506425300 

FAx 

44(0) 1506425320 

e-mAIl 

sales@edinst.com 

Web sITe 

www.edinburghphotonics.com 


70 

yeAr FounDeD 

1971 


Edinburgh Instruments Ltd. is a global provider of sophisticated 

luminescence and fluorescence instrumentation and lasers. 

Our products are suitable for a wide range of applications these 

include scientific R&D, commercial research, process industries, 

environmental monitoring, and other applications. Combined 

with our reputation for delivering trustworthy, high-quality, high 

performance products our service excellence has helped 

establish Edinburgh Instruments as an innovative leading light in 

the marketplace. Edinburgh Instruments has a global reputation 

for excellence. Excellence in product. Excellence in service. 

Excellence in expertise. 


⦁ Fluorescence spectrometers — steady state, lifetime, and 

phosphorescence 

⦁ Laser flash photolysis 


⦁ Scientific research and industrial markets 

⦁ Photophysics 

⦁ Photochemistry 

⦁ Biophysics 

⦁ Biochemistry 

⦁ Semiconductor physics 


⦁ Fluorescence spectrometers (steady state, lifetime, 

phosphorescence) 

⦁ Fluorescence spectrometers (lifetime only)


Energetiq Technology, Inc. 


energetiq Technology, Inc. 

7 Constitution Way 

Woburn, MA 01801 

Telephone 

(781) 939-0763 

FAx 

(781) 939-0769 

e-mAIl 

info@energetiq.com 

Web sITe 

www.energetiq.com 

yeAr FounDeD 

2004 


Energetiq Technology is a developer and manufacturer of 

ultrahigh-brightness light sources that enable the manufacture 

and analysis of nano-scale structures and products. Used 

in complex scientific and engineering applications such as 

analytical instrumentation and leading edge semiconductor 

manufacture, Energetiq’s light products are based on new 

technology that features broadband output from 170 nm in 

the deep UV, through visible and into the near infrared. 

Energetiq was founded in 2004 by an experienced 

technology development team with deep understanding of 

the high power plasma physics needed for high performance 

light products. This expertise enables Energetiq to provide 

light sources with the highest levels of brightness, 

performance, and reliability, as well as long operating life. 


⦁ UV–vis spectrometry 

⦁ Hyperspectral imaging 

⦁ Circular dichroism spectroscopy 

⦁ Photoemission electron spectroscopy 


Energetiq’s light sources are used for analytical spectroscopy, 

microscopy, and biological imaging in 

the life-sciences; lithography, metrology, 

inspection, resist and thin-film processing 

of semiconductors, displays and storage 

devices; soft X-ray microscopy; and a 

variety of R&D applications where 

traditional arc-lamps and synchrotron 

radiation have commonly been used. 

Major Products 

UV–vis-NIR, Broadband 

⦁ Ultra-high brightness, long-life, LDLS TM 

laser-driven light sources: 

• EQ-99 (compact, economical, 

high brightness) 

• EQ-99FC (compact, high brightness, 

fiber-coupled output) 

• EQ-1000 (high power, high 

brightness) 

• EQ-1500/1510 (ultra-high 

brightness) 

• All models feature lifetimes 

10× traditional lamps 

Facilities 

Energetiq Technology provides sales and 

service support through its technical staff 

in the Woburn, Massachusetts 

headquarters and through its network 

of representatives and distributors in the 

United States, Asia, and Europe, ensuring 

quick turnaround for customers. In addition, 

the Massachusetts location has a 

clean manufacturing facility that provides 

Class 1000 assembly capability for optics 

assembly and manufacturing for LDLS 

products.


Enwave Optronics, Inc. 


⦁ EZRaman Series for laboratory and field 

Raman applications 

⦁ ProRaman Series for laboratory, on-line 

process monitoring, and other applications 

requiring high sensitivity 

⦁ MicroSense Series for Raman microscopy 

applications 

⦁ Frequency-stabilized lasers 

⦁ Customized Raman solutions 

⦁ OEM products 

Facilities 

Enwave’s engineering, sales, manufacturing, 

and services office is located in 

Irvine, California. We also have partners 

and distributors in North America, Europe, 

Asia, Latin America, and Australia 

to meet the needs of our international 

customers. 

enwave optronics, Inc. 

18200 W. McDurmott Street, 

Suite A 

Irvine, CA 92614 

Telephone 

(949) 955-0258 

FAx 

(949) 955-0259 

e-mAIl 

info@enwaveopt.com 

Web sITe 

www.enwaveopt.com 


US: 8 

Outside the US: 15 

yeAr FounDeD 

2003 


Enwave Optronics, Inc. is an innovative leader in high performance 

and affordable Raman spectroscopy solutions. 

The Enwave engineering team has extensive knowledge 

in diode laser optical systems and Raman spectroscopy 

instrumentation. We specialize in providing solutions for 

Raman applications that other vendors are unable to solve. 

We provide full design, prototyping, R&D, manufacturing, 

and technical support. We are committed to assisting you 

resolve your most challenging application needs and to 

providing you with the best performance and quality solutions 

at the most affordable prices. 




Enwave’s instruments can be found and utilized for a wide 

range of applications and in a variety of industries such 

as: education, research, environmental, semiconductor, 

pharmaceutical, forensics, chemical, paper and pulp, food 

and beverage, biotechnology and life sciences, gemology/ 

mineralogy, and much more!


Hamamatsu Corporation 


⦁ Detectors: photomultiplier tubes, 

infrared detectors, photodiodes, and 

microchannel plates 

⦁ Image sensors: NMOS, CMOS, InGaAs 

photodiode arrays, and CCD 

⦁ Miniature spectrometers: UV–vis, NIR, 

and Raman 

⦁ Light sources: xenon lamps, xenon flash 

lamps, deuterium lamps, laser diodes, 

and quantum cascade lasers 


Hamamatsu Corporation is the North American subsidiary of 

Hamamatsu Photonics K.K. (Japan), a leading manufacturer of 

devices for the generation and measurement of infrared, 

visible, and ultraviolet light. These devices include 

photodiodes, photomultiplier tubes, scientific light sources, infrared 

detectors, photoconductive detectors, and image 

sensors. The parent company is dedicated to the advancement 

of photonics through extensive research. This corporate 

philosophy results in state-of-the-art products that are used 

throughout the world in scientific, industrial, and commercial 

applications. 

Facility 

Hamamatsu Corporation is a wholly 

owned subsidiary of Hamamatsu 

Photonics K.K. (Japan). Hamamatsu 

Corporation’s headquarters is located in 

Bridgewater, New Jersey. In addition, we 

have engineers located throughout the 

United States to provide you with 

technical and sales support. 

Hamamatsu Corporation 

360 Foothill Road 

Bridgewater, NJ 08807 

TelepHone 

(908) 231-0960 

Fax 

(908) 231-1539 

e-mail 

usa@hamamatsu.com 

Web siTe 

sales.hamamatsu.com 


⦁ UV–visible spectroscopy 

⦁ IR spectroscopy 


⦁ Mass spectroscopy 

⦁ Atomic absorption spectroscopy 


Hamamatsu provides high performance devices for 

analytical instruments. These include detectors and light 

sources for use in UV–vis, NIR, Raman, TOF-MS, and other 

spectrometers. We also provide miniature spectrometers 

for medical and biological research, environmental 

monitoring, production and process control, semiconductor 

inspection, chromatography, food analysis, water content 

measurement, and other industries.


Glass Expansion 


Nebulizers 

⦁ SeaSpray — High dissolved solids nebulizer 

⦁ MicroMist — Low uptake nebulizer for 

all ICPs 

⦁ Conikal — An industry standard 

⦁ Slurry — For slurries andsSuspensions 

⦁ DuraMist — Routine high-precision HF 

analyses 

⦁ OpalMist — Ideal for geochemistry and 

semiconductor industry 

⦁ VeeSpray — Handles high particle and 

TDS loads best 

Glass expansion 

4 Barlows Landing Road 

Unit #2A 

Pocasset, MA 02559 

TelepHone 

(508) 563-1800 

(800) 208-0097 

Fax 

(508) 563-1802 

e-mail 

geusa@geicp.com 

Web siTe 

www.geicp.com 

YeaR Founded 

1985 


Glass Expansion has been manufacturing sample introduction 

components for ICP emission and mass spectrometers since 

the early 1980s. Today we support both new and old instruments 

for 16 different manufacturers, representing sample 

introduction systems for over 50 different ICP-AES and ICP-MS 

models. Glass Expansion has developed unique and proprietary 

manufacturing methods, which have resulted in the 

production of components of high mechanical strength and 

micron-level dimensional accuracy to satisfy the narrowest of 

analytical specifications, each and every time. Our products 

are recognized worldwide for their excellent precision, 

cost-effectiveness, and reproducibility of results. 


⦁ ICP-AES 

⦁ ICP-MS 


Glass Expansion’s products are used widely in private and 

government analytical laboratories within agricultural, 

environmental, food, forensic, geological, metallurgical, 

petrochemical, and pharmaceutical industries. We support 

leading ICP models including Thermo Fisher, PerkinElmer, 

Teledyne Leeman, Agilent, SPECTRO Ametek, and Horiba 

J-Y. Whether you need just a nebulizer, a complete sample 

introduction system, or the answer for a tricky sample, we 

have the innovative, high-quality products and applications 

expertise to assist. 

Spray Chambers 

⦁ Tracey Cyclonic — An industry standard 

⦁ Twister Cyclonic — Reduces solvent 

load 

⦁ Cinnabar Cyclonic — Low-volume spray 

⦁ IsoMist programmable temperature 

spray chamber 

Torches 

⦁ Fully Demountable D-Torches 

⦁ Semi-Demountable Torches 

⦁ Fixed Quartz Torches 

RF Coils 

Replacement RF Coils with optional silver 

or gold coating. 

Accessories 

⦁ Niagara Plus and Assist – Enhanced 

productivity accessories 

⦁ Capricorn – Argon humidifier 

⦁ TruFlo – sample uptake monitor 

Facilities 

Today, Glass Expansion has two global 

offices located in Australia and the 

United States. Between our two offices 

and network of distributors, we service 

every region of the globe, 24 hours a 

day. This ensures you receive a rapid 

response and timely order deliveries 

each and every time.

What makes 


different? 

We are the world leader in the design of ICP 

sample introduction systems. The ICP that 

you are using now almost certainly incorporates 

sample introduction components based on 

original Glass Expansion designs. 

We provide a unique no-risk guarantee. 

If you find one of our products unsuitable in 

any way, you can return it for a credit or refund. 

We have a full staff of technical people to 

assist you. We have our own laboratory with 

four ICP spectrometers (ICP-OES and ICP-MS) 

and you can count on expert advice on your 

application from our experienced technical staff. 

We provide rapid delivery. Most items are held 

in stock and we ship immediately after receiving 

your order. 

To request a copy of our catalog, or sign up for our newsletter, please vist our website: 


4 Barlows Landing Road 

Unit 2A • Pocasset • MA 0255 , USA 

Toll Free Phone: 800 208 00 7 

Telephone: 508 563 1800 

Facsimile: 508 563 1802 

Email: geusa@geicp.com 

Web: www.geicp.com

58 SPECTROSCOPY CORPORATE CAPABILITIES DECEMBER 2011 www.spectroscopyonline.com 

Harrick Scientific Products, Inc. 


Harrick Scientific offers the most complete 

line of spectroscopy sampling products, 

including: 

⦁ Video MVP — a diamond micro ATR 

accessory with built-in camera 

⦁ MVP Pro Star — an affordable 

monolithic diamond ATR accessory 

⦁ Praying Mantis — a diffuse reflectance 

accessory available with environmental 

chambers/reaction cells 

⦁ Seagull — a variable angle specular 

reflection and ATR accessory 

⦁ VariGATR — a variable angle grazing 

angle ATR accessory for monolayers on 

Gold and Silicon substrates 

⦁ FiberMate 2 — an interface between spectrometers 

and fiberoptic applications 

⦁ MultiLoop, Omni-Diff, and 

Omni-Spec — fiberoptic probes for ATR, 

diffuse reflection, and specular 

reflection 

⦁ A variety of liquid and gas transmission 

cells 

⦁ Custom design development 

Harrick Scientific 

Products, Inc. 

141 Tompkins Ave, 

2nd Floor 

Pleasantville, NY 10570 

TELEPHONE 

(800) 248-3847 

FAX 

(914) 747-7209 

E-MAIL 

info@harricksci.com 

WEB SITE 

www.harricksci.com 

NUMBER OF EMPLOYEES 

25 

YEAR FOUNDED 

1969 


Harrick Scientific Products specializes in designing and manufacturing 

instruments for optical spectroscopy. Since being established 

in 1969, Harrick Scientific has advanced the frontiers of 

optical spectroscopy through its innovations in all spectroscopic 

techniques. The founder of the company, Dr. N.J. Harrick, pioneered 

ATR (attenuated total reflection) spectroscopy and became 

the principal developer of this technique. Harrick Scientific 

offers a complete selection of sampling accessories, including 

both standard and custom designs, as well as an extensive line of 

optical elements. 


⦁ Transmission 

⦁ Specular reflection 

⦁ Diffuse reflection 

⦁ ATR 

⦁ Fiberoptics 


Harrick Scientific serves analytical markets worldwide. Harrick’s 

customers typically are from research or quality control laboratories 

of industrial, governmental, research, and academic institutions 

throughout the world. Industries served include chemical, 

electronic, pharmaceutical, forensics, and biomedical. 

Facilities 

Harrick Scientific Products is located 30 

miles north of New York City in Pleasantville, 

New York. Our products are also 

available through FT-IR and UV-Vis spectrometer 

manufacturers, as well as distributors 

in the United States and throughout 

the world.


Hellma USA, Inc. 

DECEMBER 2011 SPECTROSCOPY CORPORATE CAPABILITIES 59 

Hellma USA, Inc. 

80 Skyline Drive 

Plainview, NY 11803 

TELEPHONE 

(516) 939-0888 

WEB SITE 

www.hellmausa.com 

Mini process probe. 


Hellma GmbH & Co., founded 

in 1922, is the world market 

leader in cells, fiber optic 

probes, and optical components 

made of glass or quartz 

which are used for modern 

optical analysis. Hellma 

Analytics products are available 

worldwide through a network 

of Hellma Analytics sister companies 

and additional 

distribution agents. 


Complete traceability and excellent reliability of measurement 

results — with UV–vis calibration standards 

from the accredited DKD calibration laboratory of 

Hellma 

With the accreditation according to DIN EN ISO 17025, Hellma 

Analytics is one of the leading accredited calibration laboratories 

that produce and certify liquid and glass calibration filters made 

for testing spectrophotometers. Increased security and quality 

demands among laboratories require an improved traceability 

of measurement results to an internationally approved standard. 

An accreditation according to DIN EN ISO 17025 ensures the 

traceability of calibrations carried out to references of the NIST, by 

which an international correlation of measurement results is 

assured. Thus, procedures in laboratories gain greater transparency 

and improved protection of their measurement results. 

Fiber–optical systems 

The development of fiber-optical systems has caused a small 

revolution in chemical analysis. This technology makes it possible 

to carry out photometric measurements not only under 

laboratory conditions with cells, but also outside the lab. 

Through the development of fiber-optic probes, analysis has 

moved directly to the process for measurements with continuous 

measurements possible without sampling. This allows for 

better control of ongoing processes with much less effort. 

TrayCell — Micro Volume Analysis for sample volume 

of 0.5 µL to 10 µL 

Even in classical analysis the specialists at Hellma Analytics are always 

setting new standards. One of the most recent examples: the 

fiber-optic ultra-micro measuring cell “TrayCell,” which allows accurate 

analysis of DNA, RNA, or proteins in sample volumes of as 

low as 0.5 μL. The dimensions of the TrayCell are equivalent to a 

standard cell in order to work in all common spectrophotometers. 

Features: 

⦁ Unique fiber optic ultra-micro measuring cell 

⦁ Works with 0.5 μL to 10 μL sample volume 

⦁ A single drop measuring sample is 

sufficient 

⦁ High precision and reproducibility 

⦁ Dilution is not necessary 

Modern Flow Cytometry requires 

highest standards 

The heart of every flow cytometer is a 

small quartz glass flow channel providing 

reliable stability of the fluidic system and 

precise optical analysis of single cells. Due 

to sophisticated technologies Hellma is 

able to manufacture customer specified 

channel dimensions down to 50 μm × 

50 μm with any outside dimension and 

highly polished surfaces. 

Custom Designed Products 

In addition to the large range of standard 

products, Hellma Analytics also manufactures 

special cells and other precision optical 

parts according to customer’s specifications. 

Hellma Analytics has more than 90 years 

experience in the field of glass machining 

and fabrication. Our specialists can carry out 

complex tasks and give full and competent 

advice regarding design ideas and any 

alternative possibilities. 

Analysis in space — processing at 

the cutting edge of technology 

A close collaboration with research institutes, 

universities, and scientific institutions is 

important for Hellma Analytics’ outstanding 

engineering competence. Based on this 

extensive know-how in processing 

techniques, Hellma Analytics is able to find 

unique solutions. Excellent examples of 

achievements are the individually designed, 

custom-made cells being used in the 

International Space Station (ISS) or those 

which were used in physics research that led 

to the winning of the Nobel Prize in 1997 

and 2001.


HORIBA Scientific 


⦁ Academia 

⦁ Bio 

⦁ Chemicals 


⦁ Forensic science 


⦁ Medical 

⦁ Metals 

⦁ Nanotechnology 

⦁ OEM 

⦁ Optoelectronics 

⦁ Paint/Pigments 

⦁ Petroleum 

⦁ Pharmaceuticals 

⦁ Photovoltaics 

⦁ Plastics, polymers, etc. 

⦁ Semiconductors 

⦁ WEEE/RoHS 

HORIBA Scientific 

3880 Park Avenue 

Edison, NJ 08820 

TELEPHONE 

(732) 494-8660 

FAX 

(732) 494-5125 

E-MAIL 

info.sci@horiba.com 

WEB SITE 

www.horiba.com/scientific 


USA: 700 


YEAR FOUNDED 

1819 


HORIBA Scientific is the world-leading manufacturer of high performance 

optical spectroscopy instrumentation and components. 

Our spectrometers offer unsurpassed sensitivity, precision, performance 

and features as a consequence of our 194 years of history 

and expertise. HORIBA Scientific offers our customers the highest 

quality products and solutions, supported by a global network of 

scientists, engineers, technicians and customer service professionals. 

We are ready to be your partner whether you require components, 

custom solutions, OEM solutions and analytical, process or 

research spectrometers. 

HORIBA Scientific is part of the HORIBA Group, which employs 

over 5000 people worldwide, with annual sales in excess of $1.5 

billion. Some of our well-known and respected brand names include 

HORIBA Jobin Yvon, Sofie, Dilor, Spex ® , and IBH. 


⦁ Molecular fluorescence spectroscopy 

⦁ Optical spectroscopy 

⦁ Raman spectroscopy and microscopy 

⦁ Ellipsometry and thin film analysis 

⦁ Atomic emission spectroscopy 

⦁ Fluorescence 

⦁ Forensic science 


⦁ Spectroscopy and analysis 

⦁ Elemental analyzers 

⦁ Ellipsometers 

⦁ End-point detectors 


⦁ Gratings 

⦁ ICP & GD spectrometers 

⦁ Lifetime fluorescence 

⦁ Microscopy 

⦁ OEM components 

⦁ Particle size analyzers 


⦁ Raman & FT-IR 

⦁ Spectrographs 

⦁ Spectrometers and CCDs 

⦁ TCSPC 

⦁ VUV equipment 

⦁ X-Ray fluorescence 

⦁ Surface Plasmon Resonance Imaging 

(SPRi) 

Facilities 

HORIBA Scientific manufactures quality 

instruments in Edison, New Jersey, as well 

as in France and Japan. 

Sales, service, and applications facilities 

are located around the world. We are an 

ISO 9001:2008-certified company.


International Centre for Diffraction Data 

international Centre for 

diffraction data 

12 Campus Boulevard 

Newtown Square, PA 19073 

TelepHone 

(610) 325-9814 

Fax 

(610) 325-9823 

e-mail 

infox@icdd.com 

Web siTe 

www.icdd.com 

YeaR Founded 

1941 


ICDD is a non-profit scientific organization dedicated to collecting, 

editing, publishing, and distributing powder diffraction 

data for the identification of crystalline materials. Our mission 

is to continue to be the world center for quality diffraction 

and related data to meet the needs of the technical community. 

We promote the application of materials characterization 

methods in science and technology by providing forums 

for the exchange of ideas and information. We sponsor the 

Pharmaceutical Powder X-ray Diffraction Symposium (PPXRD), 

Denver X-ray Conference; its proceedings, Advances in X-ray 

Analysis and the journal, Powder Diffraction. ICDD and its 

members conduct workshops and clinics on materials characterization 

at our headquarters in Newtown Square, Pennsylvania 

and at X-ray analysis conferences around the world. 


⦁ X-ray Diffraction 

⦁ Electron Diffraction 

⦁ Electron Backscatter Diffraction 


The Powder Diffraction File is designed for materials identification 

and characterization. ICDD databases are used worldwide 

by scientists in academia, government, and industry who 

are actively engaged in the field of X-ray powder diffraction 

and related disciplines. 


PDF-4+ 2011 is our advanced database 

with comprehensive material coverage 

for inorganic materials. The database is a 

powerful tool for phase identification using 

physical, chemical, and crystallographic 

data. It contains numerous features such 

as 316,291 data sets, digitized patterns, 

molecular graphics and atomic parameters. 

Many new features have been 

incorporated into PDF-4+ to enhance the 

ability to do quantitative analysis by any 

of three methods: Rietveld Analysis, Reference 

Intensity Ratio (RIR) method, or Total 

Pattern Analysis. PDF-4+ also offers a 

suite of electron diffraction tools including 

electron diffraction powder pattern simulations, 

an interactive spot pattern simulation, 

and an electron diffraction backscatter 

pattern simulation module.


Iridian Spectral Technologies Ltd. 


Leader in optical filter solutions, Iridian, is a coating company that works with you in finding cost effective 

solutions to your problems. We are one of the leading companies for Raman, confocal fluorescence and 

flow cytometry filters. Our coatings reach from UV to LWIR of the optical spectrum. Our dielectric thin-films 

provide long term durability and reliability with industry leading optical performance. We provide filters from 

small prototype volumes to large volume productions. We are a reliable partner, with high quality standards 

and excellent customer service. Our product is state-of-the-art and we set high value on innovation. 



⦁ Confocal fluorescence microscopy 

⦁ Flow cytometry 


We are a global supplier who addresses the worldwide need of optical filters for OEMs and individual end 

users through direct sales support offered and sales through local distribution channels in Europe and Asia. 

Iridian provides optical filters and coating services to a wide variety of industrial and research sectors. We are 

a global supplier for applications in telecommunications, spectroscopy (Raman, fluorescence, flow cytometry) 

and the entertainment industry (filter wheels, glasses for 3D cinema). 

iridian spectral 

Technologies ltd. 

1200 Montreal Rd. 

Bldg. M50 

Ottawa, Ontario, Canada 

TelepHone 

(613) 741-4513 


We offer optical filters and coatings, for UV, visible, and IR applications. Our dielectric thin-film filters provide 

long term durability and reliability with industry leading optical performance. Get more signal with less 

background with our optical filters for Raman spectroscopy. We provide pass band transmittances of >90%, 

exceptional edge steepness, and blocking of >OD6. Capture better images with our single or multi-band 

filters for fluorescence spectroscopy and microscopy and flow cytometry. Our filters have high transmission 

with sharp cutoffs and excellent isolation providing brighter imaging and improved image contrast. 

Facility 

Iridian’s operations are located in Canada’s capital: Ottawa, Ontario. Our offices/headquarters and our 

manufacturing plant occupy a total space of 40,778 ft 2 out of which: 27,328 square feet is manufacturing 

area. We are a Canadian manufacturer. 

Fax 

(613) 741-9986 

e-mail 

inquiries@iridian.ca 

Web siTe 

www.iridian.ca 

numbeR oF emploYees 

ouTsiTe usa: 124 

YeaR Founded 

1998


International Crystal Laboratories 

optics; KBr powder; liquid and gas transmission 

cells; cuvettes for UV–vis, NIR, and 

fluorescence spectroscopy; solid sampling 

accessories such as mills, mortars and 

pestles, lab presses, and dies for making 

KBr pellets for IR spectroscopy; and briquets 

for XRF spectroscopy. 

Facility 

ICL provides customer support at our state 

of the art manufacturing plant in Garfield, 

New Jersey. We maintain several FT-IR and 

UV–vis spectrophotometers for product 

quality control. Our plant is now serviced 

by a 150 KWH backup generator which 

guarantees that we are able to be productive 

at all times. 

international Crystal 

laboratories 

11 Erie Street 

Garfield, NJ 07026 

TelepHone 

(973) 478-8944 

Fax 

(973) 478-4201 

e-mail 

iclmail@optonline.net 

Web siTe 

www.internationalcrystal.net 

numbeR oF emploYees 

25 

YeaR Founded 

1962 


ICL is a fully integrated materials technology company that 

manufactures IR crystal optics and spectroscopy accessories. 

It is the only US manufacturer of KBr, NaCl, and KCl crystals. 

KBr beam splitters are an essential component of all FT-IR 

spectrophotometers. ICL is a highly regarded vendor to instrument 

manufacturers and has received numerous honors such 

as “Vendor of the Year” from instrument manufacturers for 

on time, defect free product deliveries. ICL is engaged in R&D 

projects with major research laboratories, including ongoing 

projects with Brookhaven National Laboratory. 


⦁ IR 

⦁ FT-IR 

⦁ UV–vis 


⦁ XRF 


ICL supplies a broad range of optics, supplies, and accessories 

for spectroscopy to end-users, dealers, catalog vendors, and 

instrument manufacturers worldwide. Customers can access 

ICL’s products on-line, through extensive catalogs and a network 

of more than 75 dealers who service customers in most 

markets throughout the world. 


ICL products enable spectroscopists to make the most out of 

modern spectroscopic instruments. Products include IR crystal


Meinhard 


Meinhard 

700 Corporate Circle, Suite L 

Golden, Colorado 80401 

TELEPHONE 

(800) 634-6427 

FAX 

(303) 279-5156 

E-MAIL 

sales@meinhard.com 

WEB SITE 

www.meinhard.com 


25 

YEAR FOUNDED 

1974 


Sample introduction components and accessories for ICP-OES 

and ICP-MS. Since 1974, Meinhard is the leading manufacturer 

of concentric nebulizers in borosilicate glass and quartz. The topperforming 

microconcentric High Efficiency Nebulizer operates at 

5 to 300 µL/min and 90, 120, 150, or 170 psi for 1 L/min carrier. 

A new sample collection device, the ALPXS, is an aerosol-to-liquid 

particle extraction system which puts atmospheric particulates directly 

into suspension for ICP analysis. As a division of Elemental 

Scientific, Meinhard products are available through a worldwide 

network of distributors. 


⦁ ICP-OES 

⦁ ICP-MS 


⦁ Agricultural 


⦁ Manufacturing 

⦁ Materials 

⦁ Metals 

⦁ Mining 

⦁ Petroleum 


⦁ R & D 


Nebulizers: 

⦁ HEN – highest sensitivity available, and 

low liquid flow 

⦁ Plus Series – combine the high sensitivity 

A-type nozzle with low dead volume for 

fast stabilization and rinse-out 

⦁ A-type – highest sensitivity in a conventional 

nebulizer 

⦁ C-type – high solids tolerance 

⦁ K-type – high solids tolerance with reduced 

carrier flow 

Spray Chambers: 

⦁ For all ICP instruments, with custom 

designs available 

Torches: 

⦁ For all ICP instruments, with custom designs 

available 

Accessories: 

⦁ ALPXS self-contained, portable air sampler 

⦁ Peristaltic pump tubing 

Facility 

Precision manufacturing of quartz and 

glass consumables for ICP-OES and 

ICP-MS.


Moxtek, Inc. 


⦁ ProFlux Wiregrid Polarizers — High 

transmission and contrast inorganic 

polarizers for UV, visible, and IR 

applications. 

⦁ MAGNUM Miniature X-ray Sources — 

The leading X-ray source technology for 

handheld and bench top X-ray analysis 

applications. 

⦁ XPIN Detectors — The latest generation 

of affordable Si-PIN detectors for X-ray 

fluorescence spectrometry. 

⦁ AP3 and ProLINE Windows — Ultrathin 

polymer windows for energy and 

wavelength dispersive spectroscopy. 

⦁ DuraBeryllium Windows — The most 

rugged and reliable beryllium windows 

available for X-ray applications. 

⦁ MX Series JFET — The lowest noise JFET 

available for X-ray detection systems. 

Moxtek, inc. 

452 W 1260 N 

Orem, UT 84057 

Telephone 

(801) 225-0930 

Fax 

(801) 221-1121 

e-Mail 

moxtek@moxtek.com 

Web siTe 

www.moxtek.com 

nuMber oF eMployees 

142 

year Founded 

1986 


We are a leading supplier of X-ray and optical components 

for analytical instrumentation and display electronics. 

Products include the new XPIN high-performance Si- 

PIN X-ray detectors; MAGNUM ® miniature low-power 

X-ray sources; AP3 and DuraBeryllium ® X-ray windows 

for EDS; ProLINE windows for WDS; and ProFlux ® wiregrid 

polarizers and beam splitters for UV, visible, and 

IR spectroscopy. Moxtek is well known for advanced 

technology, innovative solutions, and excellent 

customer service. 


⦁ Energy dispersive X-ray spectroscopy 

⦁ Wavelength dispersive X-ray spectroscopy 

⦁ X-ray diffraction 

⦁ Microanalysis 

⦁ UV, visible, IR spectrometry 


Moxtek, Inc. serves the analytical instrumentation and 

projection display markets. 

Wiregrid polarizer


Milestone Inc. 

⦁ Commercial testing 

⦁ Petrochemical 


⦁ Academic 


⦁ Ethos EZ — the most advanced closed 

vessel microwave digestion system 

⦁ UltraWAVE — single reaction chamber microwave 

digestion in a benchtop package 

⦁ UltraCLAVE — single reaction chamber microwave 

digestion — ultimate throughput 

⦁ DMA-80 — direct mercury analysis with 

results in 6 min 

⦁ DuoPUR — on demand acid purification 

⦁ TraceCLEAN — automated acid reflux 

cleaning system 

⦁ PYRO — fast, microwave ashing 

Milestone Inc. 

25 Controls Drive 

Shelton, CT 06484 

TELEPHONE 

(886) 995-5100 

FAX 

(203) 925-4241 

E-MAIL 

mwave@milestonesci.com 

WEB SITE 

www.milestonesci.com 

www.milestonesrl.com 


30 (in the US) 

100 (outside the US) 

YEAR FOUNDED 

1988 


Today’s laboratories are challenged to process more samples at 

lower detection levels with fewer available resources. Often the 

limitations of the existing sample preparation approach creates a 

“bottleneck” in productivity. At Milestone our full suite of 

microwave sample prep productivity tools are backed by over 

50 patents and 20 years of industry expertise to break these 

bottlenecks by providing safe, reliable, and flexible platforms to 

enhance your productivity. The key to Milestone’s technological 

leadership lies in bringing together individuals from diverse 

scientific and engineering disciplines to solve real world problems 

with innovative microwave instrumentation. This philosophy has 

enabled Milestone to develop an extraordinary range of products 

from an unmatched portfolio of over 30 patents. 

Over 15,000 customers worldwide look to Milestone to improve 

their metals digestions, organic extractions, mercury analysis, and 

synthetic chemistry processes. We partner with our customers to 

meet their challenges now, and well into the future. 


⦁ ICP mass spectrometry (ICP-MS) 

⦁ Inductively coupled plasma (ICP-OES) 

⦁ Atomic absorption ( AA) 

⦁ Mercury analysis 



⦁ Clinical 

⦁ Food testing 

Facility 

Milestone’s Global HQ is based in Bergamo, 

Italy with manufacturing and R&D facilities 

in Germany and Switzerland. We support 

our global customers through direct offices 

in China, Japan, Korea, as well as distributor 

networks in 70 countries. 

Milestone’s North American Headquarters 

are located in Shelton, Connecticut to provide 

applications, technical, and customer 

service support to our clients. Our stocking 

facilities are managed for immediate 

turn around for consumables, accessories, 

and service parts. Our applications lab is 

equipped with a full range of productivity 

tools and a team of application chemists to 

provide customer demonstrations as well 

as method development. With a service and 

support team to complement our field sales 

team, Milestone can look after customer 

needs locally.


Nippon Instruments North America 

requirements. These analyzers provide 

simple, highly effective results for such 

methods as EPA 245.1. 

⦁ Model RA-3420 Mercury Analyzer: 

A unique analyzer that performs the 

typical EPA Method 245.1 analysis in 

a fully automatic sequence, including 

sample preparation. 

⦁ Model PE-1000 Mercury Analyzer: 

A specifically designed mercury analyzer 

for direct, automated analysis of 

mercury in liquid and gaseous hydrocarbons. 

nippon instruments 

north america 

1511 Texas Ave S #270 

College Station, TX 77840 

Telephone 

(979) 774-3800 

Fax 

(979) 774-3807 

e-Mail 

sales@hg-nic.us 

Web siTe 

www.hg-nic.us 


19 

year Founded 

2003 


Nippon Instruments North America is the regional office for 

Nippon Instruments Corporation-Japan. Nippon Instruments 

has over 30 years of experience in the design and manufacture 

of high-quality mercury analyzers. With an absolute focus 

on mercury analyzers, Nippon Instruments offers mercury 

analyzers for just about every application. From systems for 

most EPA methods to direct mercury analyzers to online 

monitoring systems to specially designed systems for the petrochem 

industry, Nippon Instruments has a mercury analyzer 

for your laboratory. 


⦁ Atomic absorption spectroscopy 

⦁ Atomic fluorescence spectroscopy 


Nippon Instruments provides mercury analyzers for EPA compliance 

monitoring in the environmental, government, and 

industrial markets. We provide highly versatile systems for the 

research and education markets, as well as mercury analyzers 

that are specifically designed for the unique tasks of the industrial 

and petrochem markets. 


⦁ Model MA-2000 Mercury Analyzer: A direct mercury 

analyzer that allows for mercury analysis of just about any 

matrix without the need for sample preparation. 

⦁ Model RA-3000 Series Mercury Analyzers: Mercury analyzers 

with several configurations available to fit various budget 

Facilities 

Nippon Instruments North America is in 

the final stages of building a new office in 

College Station, Texas, in order to continue 

to expand our capabilities. Nippon Instruments 

Corporation currently maintains offices 

in Osaka and Tokyo, Japan, as well as 

an additional office in Singapore.


Ocean Optics 

students’ learning experience. You can find 

Ocean Optics products in virtually any application 

from food safety to forensics and 

from semiconductors to marine biology. 

ocean optics 

830 Douglas Ave. 

Dunedin, FL 34698 

Telephone 

(727) 733-2447 

Fax 

(727) 733-3962 

e-Mail 

info@oceanoptics.com 

Web siTe 

www.oceanoptics.com 


250 

year Founded 

1989 


Ocean Optics is the inventor of the world’s first miniature 

spectrometer and has specified and delivered nearly 200,000 

of them over the past 20 years. The company provides solutions 

for diverse applications of optical sensing in medical 

and biological research, environmental regulation, science 

education, production and process control. Ocean Optics also 

provides a comprehensive range of complementary technologies, 

including chemical sensors, metrology instrumentation, 

optical fibers, probes, filters and many more spectroscopic 

peripherals and accessories. Our spectrometers and sensors 

also are ideal for OEM applications — with modular options 

that meet virtually any application requirement. 


Absorbance, transmission, reflectance, irradiance, fluorescence, 

Raman, UV-vis, NIR, spectroradiometry, color spectroscopy, 

laser-induced breakdown spectroscopy (LIBS), fiber 

optic chemical sensing, flow injection analysis, elemental 

analysis, end-point detection, headspace monitoring, laser 

characterization, nondestructive testing, multispectral imaging. 


Ocean Optics’ technologies can be found in a diverse range of 

industries and disciplines. Our products are used by innovators, 

researchers, scientists, OEMs, medical and health care 

professionals and manufacturing facilities in every country on 

the planet. Military and security concerns have incorporated 

Ocean Optics technologies into their equipment and science 

educators have made our equipment an integral part of their 


Spectrometers: UV-vis/NIR, high-resolution, 

time-gated fluorescence, spectrofluorometers, 

absorbance, laser-induced 

breakdown, LED measurement, reflectometer, 

Raman, remote sensing, field 

measurement 

OEM offerings: Spectrometers, sensors, 

fibers, and sub-assemblies for embedding 

into OEM applications 

Optical sensors: Oxygen sensors, pH sensors, 

temperature sensing, and transducing 

materials 

Sampling accessories: Collimating 

lenses, cuvettes and holders, standards, 

filters and holders, flow cells, cosine correctors, 

integrating spheres 

Light sources: Deuterium, tungsten halogen, 

LED, calibration sources, excitation 

sources, lasers 

Optical fiber and probes: Premiumgrade 

assemblies, bare fiber, custom 

options, reflection, transmission and temperature 

probes, vacuum feedthroughs, 

complete fiber kits 

Facility 

Ocean Optics is headquartered in 

Dunedin, Florida, and has full-service 

locations in Europe, Latin America and the 

People’s Republic of China. Ocean Optics 

is part of Halma, p.l.c., a safety and 

environmental technology group 

domiciled in the United Kingdom.


OI Analytical 


OI Analytical provides instruments for 

spectroscopic analysis including: 

⦁ iTOC-CRDS Isotopic Carbon Analyzer 

⦁ IonCam Mass Spectrometer 

⦁ IonCam 2020 Transportable GC–MS 

⦁ IonCCD Array Detector 

⦁ DA 3500 Discrete Analyzer 

⦁ FS 3100 Automated Chemistry Analyzer 

Facilities 

OI Analytical operates research and manufacturing 

sites in College Station, Texas 

and Birmingham, Alabama occupying 

88,000 square feet. 

oi analytical 

151 Graham Road 

P.O. Box 9010 

College Station, TX 77842 

Telephone 

(979) 690-1711 

(800) 653-1711 

Fax 

(979) 690-0440 

e-Mail 

oimail@oico.com 

Web siTe 

www.oico.com 


135 

year Founded 

1969 


OI Analytical designs, manufactures, markets, and supports 

analytical instruments used for sample preparation, detection, 

and measurement of chemical compounds and elements. OI 

Analytical is based in College Station, Texas, with a second 

facility in Birmingham, Alabama. 


⦁ Total organic carbon-cavity ring down spectroscopy (TOC- 

CRDS) 

⦁ Mass spectrometry 

⦁ Gas chromatography–mass spectrometry (GC–MS) 

⦁ Discrete analysis 

⦁ Flow injection analysis (FIA) 

⦁ Segmented flow analysis (SFA) 


Principal markets/industries served include environmental 

testing, drinking and wastewater treatment, chemicals and 

petrochemicals, pharmaceuticals, food and beverage, homeland 

security, and chemical weapons demilitarization.


OptiGrate Corp. 


OptiGrate Corp. 

3267 Progress Drive 

Orlando, FL 32826 

TELEPHONE 

(407) 381-4115 

FAX 

(407) 384-5995 

E-MAIL 

info@optigrate.com 

WEB SITE 

www.optigrate.com 


30 

YEAR FOUNDED 

1999 


OptiGrate Corp designs and manufactures ultra-narrow band 

optical filters based on volume Bragg grating (VBG) technologies 

in proprietary photo-thermo-refractive glass. Filters with 

bandwidth as low as 30 pm are formed by holographic techniques 

in the bulk of glass material, and demonstrate superior 

optical quality, outstanding durability, environmental stability, 

and high optical damage threshold. OptiGrate is a pioneer 

and world leader in VBG technologies and, for over 10 years, 

OptiGrate has delivered holographic optical elements (HOE) to 

a large number of government contractors and OEMs in optoelectronics, 

analytical, medical, defense, and other industries. 

Markets 

OptiGrate supplied ultra narrow band filters to hundreds of 

customers on 5 continents. These filters are used for: Raman 

spectroscopy and microscopy; semiconductor, solid state, 

and fiber lasers; hyperspectral and Raman imaging systems; 

ultrafast laser systems; optical recording and storage; medical 

diagnostics and treatment; etc. 

Optical Density 

760 770 780 790 800 810 

1E+00 

1E+01 

1E+02 

1E+03 

1E+04 

1E+05 

1E+06 

1E+07 

1E+08 

Wavelength [nm] 

TFF Notch 

2x BNF 

Main Product Lines 

⦁ Ultra-narrow band optical notch and 

bandpass filters with linewidth less than 

10 cm -1 

⦁ Laser resonator mode selection filters/ 

mirrors for spectral narrowing and thermal 

stabilization of lasers 

⦁ Deflectors — transmitting volume Bragg 

gratings for angular filtering and deflection 

of laser light 

⦁ Chirped volume Bragg gratings for compact 

and robust stretchers and compressors 

of ultra-short laser pulses 

⦁ Spectral beam combiner — angular 

and spectral filters for high-power laser 

spectral beam combining 

Facilities 

OptiGrate designs, develops, and makes 

all products in Orlando, Florida. The 

volume Bragg grating filters are manufactured 

in a unique, vertically integrated 

facility that includes photosensitive glass 

production facility, holographic facility, 

and laser development facility. Opti- 

Grate’s internal capability to develop, 

fine-tune, and mass produce photosensitive 

glass, the core of VBG technology, 

provides better process control and 

stability and also enables fabrication of 

filters with record characteristics. 

Ultra-narrow band BragGrate optical filters enable Raman shift measurements to 5 cm -1 

Optical Density 

784.5 784.75 785 785.25 785.5 

1E+00 

1E+02 

1E+04 

1E+06 

1E+08 

Wavelength [nm]


Optometrics Corporation 


optometrics Corporation 

8 Nemco Way 

Ayer, MA 01432 

Telephone 

(978) 772-1700 

Fax 

(978) 772-0017 

e-Mail 

sales@optometrics.com 

Web siTe 

www.optometrics.com 


45 

year Founded 

1969 


Optometrics has a distinguished 40 year history of manufacturing 

and providing optical components, in particular diffraction 

gratings and interference filters, for a wide range of spectroscopic 

and laser applications. Optometrics’ goal is to provide advanced 

optical components and systems for use in wavelength selection 

applications. Products include diffraction gratings, interference 

filters, components for military and civilian sighting and ranging 

equipment, monochromators, and ruled and holographic wire 

grid polarizers and beamsplitters. Optometrics caters, in particular, 

to the needs of its OEM customers by offering special services 

such as kanban stocking, bar coding capabilities, custom packaging 

programs, and higher level pre-aligned optical assemblies. 


⦁ UV, Visible, IR spectrometry 

⦁ Infrared (including FT-IR) 



⦁ Laser 

⦁ Liquid chromatography–mass spectrometry 

⦁ High performance liquid chromatography 

⦁ Color spectroscopy 



⦁ Scientific & analytical instrumentation 

⦁ FT-IR accessories 

⦁ Environmental & process monitoring 

⦁ Homeland security 

⦁ Scientific research 

⦁ Military 

⦁ Laser manufacturers 


⦁ Diffraction gratings, ruled & holographic, 

originals or replicated, reflection and 

transmission 

⦁ Interference filters from 334–1650 nm 

⦁ Ruled & holographic wire grid 

polarizers 

⦁ Laser gratings 

⦁ Monochromators 

⦁ Tunable light sources 

⦁ Light sources, sample compartments, 

stepper motor controllers 

⦁ Components for military and civilian 

sighting and ranging equipment 

⦁ Beamsplitters 

⦁ Steep edge laser line longpass filters 

⦁ Laser safety eyewear coatings 

Facilities 

Optometrics’ facility in Ayer, Massachusetts 

contains space for offices, engineering, 

R&D, and production. Equipment that supports 

our broad range of capabilities include 

four metal vacuum coating systems, 

three filter vacuum systems, two ionassisted 

hard coat vacuum systems, three 

grating ruling engines, two holographic 

laboratories, full replication and lamination 

facilities as well as full assembly, 

alignment, and test facilities. 

A Dynasil Company


Oriel ® Instruments 



⦁ Light sources from low to high power 

and UV to IR 

⦁ Monochromators 

⦁ Light detection systems (single point 

and array based) 

⦁ Spectrographs 

⦁ Spectrometers 

⦁ Photovoltaic metrology devices 

⦁ Solar simulators 

⦁ Various components designed to make, 

manage, and measure light. 

Facility 

Located in Stratford, Connecticut, including 

dedicated engineering, sales, 

and manufacturing. 

oriel instruments 

150 Long Beach Blvd. 

Stratford, CT 06615 

Telephone 

(203) 377-8282 

Fax 

(203) 378-2457 

e-Mail 

oriel.sales@newport.com 

Web siTe 

www.newport.com/Oriel 


65 (Stratford, CT facility) 

nuMber oF WorldWide 

2500 

year Founded 

1965 


Oriel Instruments, a Newport Corporation brand, was founded 

in 1965 and delevoped a reputation as an innovative supplier 

of products for the making and measuring of light. Today, the 

Oriel brand provides sophisticated broad band light sources 

covering the range from UV to IR, pulsed or continuous, and 

low to high power. Oriel also offers monochromators, 

spectrographs, and a flexible modular FT-IR spectrometer, for 

users across many industries with diverse applications. Oriel is 

a leader in photovoltaics metrology products with its 

offering of solar simulators and quantum efficiency 

measurement tools. Oriel brings innovative products and solutions 

to Newport Corporation customers around the world. 


⦁ UV–vis spectroscopy 

⦁ NIR spectroscopy 

⦁ FT-IR spectroscopy 


⦁ Research 

⦁ Industrial manufacturing 


⦁ Food sciences 

⦁ Life and health sciences 

⦁ Microelectronics 

⦁ Aerospace 

⦁ Defense

76 SPECTROSCOPY CORPORATE CAPABILITIES DECEMBER 2011 

Parker Hannifin Corporation 

Filtration and Separation Division 


Parker Hannifin 

Corporation 

Filtration and Separation 

Division 

242 Neck Road 

Haverhill, MA 01835 

TELEPHONE 

(978) 858-0505 

FAX 

(978) 556-7501 

WEB SITE 

www.labgasgenerators.com 


55,000 

YEAR FOUNDED 

1924 


Safety: Parker Balston gas generators completely eliminate the 

safety hazards involved with handling high-pressure gas cylinders. 

Enjoy hassle-free automation with no tanks to change 

and no downtime. 

Reliability: Thousands of laboratories worldwide have Parker 

Balston gas generators in routine use. Parker Balston gas generators 

are recommended and used by major instrument manufacturers. 

We offer the best technology at an affordable price from 

the brand you trust. 

Quality: Each Parker Balston gas generator is manufactured 

under a strict total quality management program. We have a 

world-class ISO 9001-certified manufacturing facility in the United 

States. All Parker Balston gas generators are backed by a complete 

satisfaction guarantee. Parker offers preventative maintenance, 

extended warranties, and field repair programs for all laboratory 

gas generators, as well as a network of highly specialized sales, 

aplication, and technical support people. 

Parker offers preventative maintenance, extended warranties and 

Products: Hydrogen gas generators produce 99.99999% pure 

hydrogen for gas chromatographs. Zero air generators produce 

zero grade air for gas chromatographs. UHP nitrogen generators 

produce 99.9999% pure nitrogen for GCs or ICP spectrometers. 

FT-IR gas generators produce dry, CO 2 

-free purge gas for FT-IR 

spectrometers. Pure air and nitrogen generators produce dry, 

ultrapure compressed gas for laboratory instruments, including 

LC–MS instruments. 

Chief Spectroscopic Techniques 

Supported 

⦁ Optical 

⦁ Atomic 

⦁ Infrared 

⦁ Mass universal 

⦁ Hyphenated techniques 


⦁ Agriculture 

⦁ Biotechnology 

⦁ Chemicals 

⦁ Chemical and explosives detection 

⦁ Energy 


⦁ Inorganic chemicals 

⦁ Instrument development 

⦁ Life science 

⦁ Organic chemicals 

⦁ Paints and coatings 

⦁ Petrochemicals 


⦁ Plastics 


Gas generators for the following analytical 

instruments: 

⦁ Gas chromatographs 

⦁ LC–MS 

⦁ FT-IR spectrometers 

⦁ ICP emission spectrometers 

⦁ TOC analyzers 

⦁ Atomic absorption spectrophotometers 

⦁ Nuclear magnetic resonance (NMR) 

⦁ Rheometers/thermal analyzers 

⦁ Sample evaporators/concentrators 

Facilities 

Parker Hannifin manufactures all gas generator 

products in Haverhill, Massachusetts. 

Distribution points stretch across the United 

States and worldwide, including Canada, the 

UK, China, India, Germany, France, Japan, and 

Singapore. Parker is pleased to announce 

that the Filtration & Separation Division, 

Balston Operation has been recommended 

for ISO4001:2004 certification by DNV.



PHOTONIS USA 

PHOTONIS USA 

Sturbridge Business Park 

660 Main Street 

Sturbridge, MA 01566 

TELEPHONE 

(508) 347-4000 

(800) 648-1800 

FAX 

(508) 347-3849 

E-MAIL 

sales@usa.photonis.com 

WEB SITE 

www.photonis.com 


USA: 150 


YEAR FOUNDED 

1937 


PHOTONIS is a leading developer, 

manufacturer, and 

supplier of scientific detector 

products and components 

for scientific and analytical 

instrumentation systems. We 

specialize in ion, electron, 

and photon detection with 

unrivaled expertise in designing 

and delivering standard 

and custom products to 

meet the most demanding 

applications. 

Our engineering and 

manufacturing expertise 

delivers solutions for virtually 

every detection application. 

With the PHOTONIS 

worldwide manufacturing 

capability and support network, we can both design and 

manufacture your most challenging detection needs. 



⦁ Time of flight MS 


⦁ Nuclear spectroscopy 

⦁ UV and X-ray spectroscopy 

⦁ Charged particle imaging 

⦁ Electron microscopy 

⦁ Residual gas analysis/leak detection 

⦁ E-beam/X-ray lithography 

⦁ Luminescence 


⦁ Atomic absorption 

⦁ Deep UV/X-ray optics 


PHOTONIS detection products are found in most of today’s 

high technology-based markets, including scientific and 

analytical instrumentation, medical diagnostics, chemistry, 

scientific research, life sciences, space and geophysical 

exploration, environmental and process monitoring, homeland 

security, control, and communications. 


⦁ Micro pore optics 

⦁ Channeltron ® electron multipliers 

⦁ MAGNUM ® electron multipliers 

⦁ Long-Life microchannel plates 

⦁ Time-of-flight MCP detectors 

⦁ MCP detector assemblies 

⦁ FieldMaster ion guides and 

drift tubes 

⦁ Glass capillary arrays 

⦁ Resistive glass products 

⦁ Electron generator arrays 

⦁ MCP-based pmts 

⦁ Image intensifier tubes 

⦁ Intensified camera units 

⦁ Hybrid photo detectors 

⦁ Streak tubes 

⦁ High voltage power supplies 

⦁ Power tubes 

⦁ Neutron and gamma detectors 

⦁ Glass-coated wire 

⦁ Flexible fiber optics 

Facilities 

PHOTONIS in Sturbridge, Massachusetts 

manufactures Channeltron ® electron 

multipliers, microchannel plates, MCP 

detectors, ion guides, prototype detectors, 

and other custom glass products. 

The Lancaster, Pennsylvania facility 

manufactures power tubes and other 

related products. PHOTONIS in Roden, 

Netherlands manufactures image intensifier 

tubes, intensified camera units, 

and hybrid photo detectors. PHOTONIS 

in Brive, France manufactures image intensifier 

tubes and related products.


PerkinElmer, Inc. 

⦁ Mass spectrometry: ICP-MS, GC–MS, 

LC–MS 

⦁ Molecular spectroscopy: FT-IR and 

FT-NIR, UV–vis and UV–vis–NIR, Raman 

spectroscopy, fluorescence spectroscopy 

⦁ Thermal analysis: DSC, TGA, STA, DMA 

⦁ Organic elemental analysis: CHN/O, 

CHNS/O 

⦁ Consumables: Atomic spectroscopy, 

chromatography, molecular spectroscopy, 

thermal analysis, elemental 

analysis 

⦁ OneSource ® Laboratory Services 


PerkinElmer, Inc. offers a wide breadth 

of instrumentation and solutions to meet 

your analytical measurement needs. 


PerkinElmer is a global scientific leader providing an extensive 

range of technology solutions and services to address the 

most critical issues facing humanity. From critical research and 

prenatal screening to environmental testing and industrial 

monitoring, we’re actively engaged in improving health and 

enhancing quality of life all around the world. 

Facility 

PerkinElmer, Inc. operates globally in 150 

countries. 

perkinelmer, inc. 

940 Winter Street 

Waltham, MA 02451 

Telephone 

(203) 925-4602 

Fax 

(203) 944-4904 

e-Mail 

as.info@perkinelmer.com 

Web siTe 

www.perkinelmer.com 




year Founded 

1937 



⦁ Inductively coupled plasma (ICP-OES and ICP-AES) 


⦁ Infrared (FT-IR and FT-NIR) spectroscopy 

⦁ UV–vis and UV–vis–NIR 



PerkinElmer is a leading provider of precision instrumentation, 

reagents and chemistries, software, and services for a 

wide range of scientific and industrial laboratory applications, 

including environmental monitoring, food and beverage quality/safety, 

and chemical analysis, as well as genetic screening, 

drug discovery, and development. 

⦁ Atomic spectroscopy: AA, ICP-OES, ICP-MS 

⦁ Chromatography: GC and GC custom solutions, GC–MS, 

HPLC and UHPLC, LC–MS 

⦁ Hyphenated techniques: HPLC–ICP-MS, GC–ICP-MS, HS- 

GC, HS-GC–MS, TD-GC, TD-GC–MS, TG-IR, TG-MS, TG-GC– 

MS, DSC-Raman

©2011 PerkinElmer, Inc. 400222_02. All rights reserved. PerkinElmer ® is a registered trademark of PerkinElmer, Inc. All other trademarks are the property of their respective owners. 

NexION 300 ICP-MS 

The NexION 300 ICP-MS: Three Modes Of Operation. One High-Performance Instrument. Nothing keeps 

your laboratory moving forward like the revolutionary NexION® 300 ICP-MS. With three modes of operation (Standard, 

Collision and Reaction), it’s the only instrument of its kind that can adapt as your samples, analytical needs or data 

requirements change. Experience unparalleled flexibility. Enjoy unsurpassed stability. Optimize your detection limits 

and analysis times. The NexION 300 ICP-MS. Choose the simplest, most 

cost-efficient path from sample to results. 

See the NexION at PerkinElmer's Gateway—www.perkinelmer.com/gateway


PerkinElmer, Inc. 


perkinelmer, inc. 

940 Winter Street 

Waltham, MA 02451 

Telephone 

(203) 925-4602 

Fax 

(203) 944-4904 

e-Mail 

as.info@perkinelmer.com 

Web siTe 

www.perkinelmer.com 




year Founded 

1937 


PerkinElmer is a global scientific leader providing an extensive 

range of technology solutions and services to address the 

most critical issues facing humanity. From critical research and 

prenatal screening to environmental testing and industrial 

monitoring, we’re actively engaged in improving health and 

enhancing quality of life all around the world. 



⦁ Inductively coupled plasma (ICP-OES and ICP-AES) 


⦁ Infrared (FT-IR & FT-NIR) spectroscopy 

⦁ UV-vis & UV-vis-NIR 



PerkinElmer is a leading provider of precision instrumentation, 

reagents and chemistries, software, and services for a 

wide range of scientific and industrial laboratory applications, 

including environmental monitoring, food and beverage quality/safety, 

and chemical analysis, as well as genetic screening, 

drug discovery, and development. 


PerkinElmer, Inc. offers a wide breadth 

of instrumentation and solutions to meet 

your analytical measurement needs: 

⦁ Atomic spectroscopy: AA, ICP-OES, 

ICP-MS 

⦁ Chromatography: GC & GC Custom Solutions, 

GC–MS, HPLC & UHPLC 

⦁ Hyphenated techniques: HPLC–ICP-MS, 

GC–ICP-MS, HS-GC, HS-GC–MS, TD-GC, 

TD-GC–MS, TG-IR, TG-MS, TG-GC–MS, 

DSC-Raman 

⦁ Mass spectrometry: ICP-MS, GC–MS, 

LC–MS 

⦁ Molecular spectroscopy: FT-IR & FT-NIR, 

UV–vis & UV–vis–NIR, Raman spectroscopy, 

fluorescence spectroscopy 

⦁ Thermal analysis: DSC, TGA, STA, DMA 

⦁ Organic elemental analysis: CHN/O, 

CHNS/O 

⦁ Consumables: Atomic spectroscopy, 

chromatography, molecular spectroscopy, 

thermal analysis, elemental 

analysis 

⦁ OneSource ® Laboratory Services 

Facilities 

PerkinElmer, Inc. operates globally in 150 

countries.

© 2010 PerkinElmer, Inc. 400219_01. All trademarks or registered trademarks are the property of PerkinElmer, Inc. and/or its subsidiaries. 

IR READY 

TO GO 

IR spectrometry just got easier. With Spectrum Two, you 

can perform fast analyses anytime, anywhere. Bringing 

laboratory performance to non-laboratory environments, 

Spectrum Two assures the quality of your materials across multiple applications. 

Easy to use, powerful, compact and robust, it’s ideally suited to everyday 

measurements. Rely on 65 years of spectroscopy experience to help you protect 

www.perkinelmer.com/spectrumtwo


PIKE Technologies 

⦁ Automation and temperature control 

are available for many of our spectroscopy 

accessories to speed sampling and 

to provide precise thermal analysis. 


PIKE products are designed for molecular spectrometers 

in the petrochemical, food, forensic, 

biochemical, pharmaceutical, semiconductor, 

agriculture, and material science industries. In 

addition, PIKE specializes in custom design of 

products for specific applications. PIKE products 

are designed and built with craftsmanship and 

care to exceed customer expectations. Visit our 

new website and take advantage of our unique 

and interactive Crystal Properties Chart and FT- 

IR Calculators. 

piKe Technologies 

6125 Cottonwood Drive 

Madison, WI 53719 

Telephone 

(608) 274-2721 

Fax 

(608) 274-0103 

e-Mail 

sales@piketech.com 

Web siTe 

www.piketech.com 


42 

year Founded 

1989 


PIKE Technologies was established in the summer of 1989, specializing 

in the development and manufacture of accessories and 

optical systems that enhance the performance of commercial 

spectrometers. PIKE concentrates on making the life of laboratory 

personnel easier. This is achieved through replacing traditional, 

tedious sampling routines with a range of innovative products 

and techniques. 


PIKE products are designed to work with FT-IR and molecular 

spectometers and are based upon the principles of transmission 

and reflection spectroscopy measurements. The sampling techniques 

offered can be divided into seven major groups: 

⦁ Attenuated total reflectance (ATR), for analysis of liquids, 

pastes, and soft solid materials. 

⦁ Diffuse reflectance (DRIFTS), used in sampling of powders and 

solids. 

⦁ Specular reflectance, useful in thin film composition and thickness 

measurements. 

⦁ Microsampling products, FT-IR microscope and beam condensers 

to analyze microsamples. 

⦁ Integrating spheres, NIR, and Mid-IR versions for FT-IR 

spectrometers. 

⦁ Transmission supplies, including IR optics, and windows of all 

sizes and designs. 


⦁ MIRacle TM Patented “universal” 

sampling accessory - Diamond, ZnSe, 

Ge, Si, and AMTIR crystals 

⦁ GladiATR TM and GladiATR Vision TM - 

Highest performance diamond ATR 

⦁ VeeMax TM patented variable angle 

specular reflection 

⦁ ATR Max TM used for variable depth of 

penetration experiments and studies. 

⦁ A wide range of fully automated FT-IR 

and NIR products with easy to integrate 

AutoPRO TM software 

⦁ Valu-Line TM Kits combining the most 

often used sampling accessories and 

transmission kits containing sampling 

holders, cells, and optics 

⦁ Long Path Gas Cells — 2.4 to 20 m, 

heating available. 

Facility 

PIKE Technologies is located in Madison, 

Wisconsin. We distribute direct to our customers 

worldwide and OEM worldwide for 

packaging with spectrometers of all manufacturers. 

Please call or visit our website for 

additional contact and product information.

Spectroscopy Sampling Solutions 

Whether your samples are precious or ordinary, large or small, 

hard or soft, liquid or solid, pure or contaminated, PIKE 

accessories provide ways and means for their analysis. 

We specialize in ATR, diffuse and specular reflectance, 

micro sampling, temperature control and sampling 

automation. We also provide custom solutions. 

Contact us to order the PIKE catalog (or get it on line) 

for the complete picture… 

FTIR, NIR and UV-Vis sampling made easier 

www.piketech.com 

sales@piketech.com 

tel: 608-274-2721


Polymicro Technologies, 

A subsidiary of Molex Incorporated 


Polymicro manufactures multimode, 

step-index fused silica optical fiber with 

polyimide, silicone, acrylate, and other 

buffers/coatings; hard clad optical fiber; 

dual clad optical fiber; highly stable deep 

UV optical fiber; broad spectrum optical 

fiber; fiber optic cables and assemblies; 

high-strength, high-temperature flexible 

fused-silica capillary tubing; light-guiding 

capillary; flow cells; square capillary 

tubing; windowed capillary tubes; UV 

transparent capillary; precision silica and 

quartz rods and “cleaved to length” tubing 

pieces; multilumen tubing; and microcomponents 

such as laser machined 

fiber tips, ferrules, sleeves, and laser cut 

rods or tubing. 

Polymicro Technologies, 

A subsidiary of Molex 

Incorporated 

18019 North 25th Avenue 

Phoenix, AZ 85023 

TELEPHONE 

(602) 375-4100 

FAX 

(602) 375-4110 

E-MAIL 

polymicrosales@molex.com 

WEB SITE 

www.polymicro.com 


115 

YEAR FOUNDED 

1984 


For over a quarter century, (since 1984), Polymicro Technologies 

delivers CREATIVE . . . INNOVATIVE . . . SOLUTIONS 

for the aerospace, analytical, astronomy, automotive, biodefense, 

biotechnology, communications, energy, manufacturing, 

medical, military, and pharmaceutical industries. 

Polymicro is the leader in providing specialty optical fibers 

and capillary tubing world wide. 


⦁ Spectroscopy, UV to mid-IR 

⦁ Sensors 

⦁ Analytical detectors 

⦁ Laser light delivery 

⦁ Remote illumination 

⦁ Astronomy spectral analysis 


Polymicro’s optical fiber, capillary tubing, fiber optic assemblies, 

and fiber and tubing arrays are commonly used in academic 

labs, national labs, and industry. Polymicro products 

find use in aerospace, analytical, astronomy, automotive, biodefense, 

biotechnology, communications, energy, manufacturing, 

medical, military, and pharmaceutical. Typical applications 

include spectroscopy, sensing, analytical detection and analysis, 

laser light delivery, remote illumination, process and quality 

monitoring and control, in addition to unique applications 

from astronomy and aerospace to your laboratory bench. 

Facilities 

Polymicro has 50,000 sq. ft. of facility 

located in the North Phoenix area. At our 

location we have several draw towers 

that produce a large portion of capillary 

tubing and multimode step-index fibers 

used throughout the world. Polymicro 

has its own glass laboratory, assembly 

department, laser machining department, 

and sophisticated testing equipment to 

meet our customers’ needs for the highest 

quality products and service. 

To get your copy of our handbook or 

inquire about our products, simply e-mail 

our technical sales department at 

polymicrosales@molex.com. Or you can 

fax us at (602) 375-4110.


Rigaku Corporation 

rigaku Corporation 

4-14-4, Sendagaya 

Tokyo 151-0051, JAPAN 

Telephone 

+1(281) 362-2300 

Fax 

+1(281) 364-3628 

e-Mail 

info@Rigaku.com 

Web siTe 

www.Rigaku.com 


US: 400 

Outside US: 700 

year Founded 

1951 


Since its inception in 1951, Rigaku has been at the forefront 

of analytical and industrial instrumentation technology. Today, 

with hundreds of major innovations to their credit, the Rigaku 

Group of Companies are world leaders in the fields of protein 

and small molecule X-ray crystallography, general X-ray diffraction 

(XRD and PXRD), X-ray spectrometry (EDXRF and WDXRF), 

X-ray optics, semiconductor metrology, Raman spectroscopy, 

automation, computed tomography, nondestructive testing, 

and thermal analysis. 


⦁ X-ray spectrometry 


⦁ Energy dispersive X-ray fluorescence (EDXRF) 

⦁ Wavelength dispersive X-ray fluorescence (WDXRF) 

⦁ Related: X-ray diffraction (XRD) 

⦁ Related: X-ray reflectometry (XRR) 


Cement, petroleum, mining, refining, pulp and paper, wood 

treating, chemicals, pharmaceuticals, biotechnology, forensics, 

homeland security, defense, aerospace, energy, metals & 

alloys, life sciences, polymers and plastics, inks and dyes, 

cosmetics, nanomaterials, photovoltaics, semiconductors, chemistry, 

geology and minerals, physics, teaching, and academy. 


⦁ NEX CG — Cartesian geometry EDXRF 

spectrometer 

⦁ NEX QC — low cost benchtop EDXRF 

analyzer 

⦁ Supermini — benchtop WDXRF 

spectrometer 

⦁ ZSX Primus — 4 kW sequential WDXRF 

spectrometer 

⦁ ZSX Primus II — 4 kW tube-above 

sequential WDXRF 

⦁ Simultix 14 — 3 kW (or optional 4 kW) 

simultaneous WDXRF spectrometer 

⦁ ZSX 400 — large sample sequential 

WDXRF spectrometer 

⦁ NANOHUNTER — benchtop total reflection 

XRF (TXRF) 

⦁ MiniFlex II — benchtop X-ray diffractometer 

(XRD) 

⦁ Xantus — family of portable Raman 

spectrometers 

⦁ FirstGuard — family of handheld Raman 

spectrometers 

Facility 

Based in Tokyo, Japan, Rigaku is a global 

organization with offices, laboratories, and 

production facilities around the world. 

Major production facilities are located in 

Auburn Hills, Michigan; Austin, Texas; 

Boston, Massachusetts; Carlsbad, California; 

Osaka, Japan; Prague, Czech Republic; 

Tokyo, Japan; Tucson, Arizona; The Woodlands, 

Texas, and Yamanashi, Japan.


Shimadzu Scientific Instruments 

⦁ Compact, high-resolution UV-1800 

⦁ Easy-to-use UVmini-1240 

⦁ Bioscience-oriented BioSpec-mini 

⦁ Micro-volume (1 μL to 2 μL samples) 

BioSpec-nano 

⦁ Single monochromator UV-2600 with 

measurement capabilities to 1400 nm 

⦁ Double monochromator UV-2700 with 

absorbance level to 8 Abs 

⦁ Three-detector UV-3600 UV-VIS-NIR 

⦁ SolidSpec-3700 UV-VIS-NIR 

Shimadzu Scientific 

Instruments 

7102 Riverwood Drive 

Columbia, MD 21046 

Telephone 

(800) 477-1227 

(410) 381-1227 

Fax 

(410) 381-1222 

e-maIl 

webmaster@shimadzu.com 

Web SITe 

www.ssi.shimadzu.com 

number oF employeeS 

USA: 335 

Worldwide: 9600 

year Founded 

Shimadzu Scientific 

Instruments: 1975 

Shimadzu Corporation: 1875 


Shimadzu Scientific Instruments (SSI) is the North American 

subsidiary of Shimadzu Corp., headquartered in Kyoto, Japan. 

SSI was established in 1975 to provide analytical solutions to a 

wide range of laboratories in the Americas. With a vast installed 

base and preferred vendor status at many institutions, SSI’s 

instruments are used by top researchers across the globe, customers 

who can count on the stability, experience, and support 

only Shimadzu offers. 


⦁ UV–vis 

⦁ FT-IR 


⦁ Atomic (AA/ICP) 

⦁ X-Ray (EDX/XRD/XRF) 

⦁ GC–MS 

⦁ LC–MS-MS 


Shimadzu offers more spectroscopy instrumentation, with 

more software and accessory options, than any other company. 

This flexibility enables spectroscopists in virtually any 

laboratory, from biotechnology, pharmaceutical, and industrial 

to academic, forensic, and environmental, to select the instrument 

best suited to their application. Shimadzu provides free 

technical support for the life of the instruments and encourages 

customer alliances to further product development. 


Shimadzu meets your needs for ruggedness, ease of 

use, validation, and applications with a variety of UV–vis 

spectrophotometers. 

FT-IR: Our robust, yet stable, FT-IR spectrophotometers 

deliver optimum performance, 

sensitivity, and reliability at an exceptional 

price, and we offer more of the 

sampling accessories you need, including 

an automated microscope. 

Fluorescence: High-performance spectrofluorophotometer 

handles a range of 

applications from routine analysis to high 

level R&D. 

AA/ICP: Simultaneous ICP and our series 

of high-quality AA spectrometers offer superior 

reliability, precision, sensitivity, and 

throughput to deliver maximum performance 

and value. 

X-ray: Our EDX/XRF/XRD systems are 

packed with powerful features to provide 

users with versatile, easy-to-use solutions. 

Facility 

Shimadzu’s U.S. headquarters includes 

customer service and technical support, 

as well as a customer training and education 

center. Ten regional facilities, strategically 

located around the U.S., provide 

customers with local sales, service, and 

technical support.

www.ssi.shimadzu.com 

Elevating Excellence in UV-Vis Analyses 

From Performance to Price, New Compact, Research-Grade 

UV-Vis Spectrophotometers Outclass the Competition 

With advanced optical systems engineered to 

substantially reduce stray light, Shimadzu’s 

new ultra-compact single-monochromator UV- 

2600 and double monochromator UV-2700 

spectrophotometers offer a number of highperformance 

and productivity-enhancing features 

to enable confident and convenient use for 

routine analysis as well as demanding research 

applications. At prices that can’t be beat. 

Shimadzu’s UV-2600/2700 

spectrophotometers feature: 

n 

n 

n 

n 

n 

n 

n 

High absorbance level to 8 Abs 

Wide measurement range to 1400 nm 

Ultra low stray light (0.00005 %T at 220 nm) 

Smallest footprint in their class 

USB connection 

Wide range of accessories and 

software packages available 

Unbelievable performance/price ratio 

For pharmaceutical and 

other applications requiring 

that hardware be validated, 

the UV-2600/2700 Series 

provides validation software 

as standard. 

You have demands. Shimadzu delivers. 

Learn more about Shimadzu’s UV-2600/2700. 

Call (800) 477-1227 or visit us online at 

www.ssi.shimadzu.com/262700 

SHIMADZU UV-2600/UV-2700 

Order consumables and accessories on-line at http://store.shimadzu.com 

Shimadzu Scientific Instruments Inc., 7102 Riverwood Dr., Columbia, MD 21046, USA


SPEX CertiPrep 


Spex Certiprep 

203 Norcross Ave. 

Metuchen, NJ 08840 

Telephone 

(800) 522-7739 

Fax 

(732) 603-9647 

e-maIl 

CRMSales@spexcsp.com 

Web SITe 

www.spexcertiprep.com 

year Founded 

1954 


SPEX CertiPrep is a leading manufacturer of Certified Reference 

Materials (CRMs) and calibration standards for analytical 

spectroscopy and chromatography. We offer a full range of 

inorganic CRMs for ICP, ICP-MS, and AA. We are certified by 

UL-DQS for ISO 9001:2008 and are proud to be accredited 

by A2LA under ISO 17025:2005 and ISO Guide 34-2009. The 

scope of our accreditation is the most comprehensive in the industry 

and encompasses all of our manufactured products. We 

also offer laboratories the option to create their own custom 

standards with quick turnaround times, at no additional cost. 


⦁ ICP 

⦁ ICP-MS 

⦁ IC 

⦁ AA 

⦁ ISE 

⦁ XRF 

⦁ XRD 


SPEX CertiPrep supplies inorganic Certified Reference 

Materials to laboratories worldwide in the following markets: 

research and development laboratories, environmental 

laboratories, wastewater treatment facilities, government 

agencies, industrial laboratories, clinical laboratories, 

pharmaceutical manufacturers, colleges and universities, 

public utilities, oil refineries, nuclear plants, and wineries, 

among others. 


SPEX CertiPrep’s products include aqueous 

and organometallic Certified Reference 

Materials for ICP-MS, ICP, and AA; ion 

chromatography and ion selective electrode 

standards; and inorganic and organic 

quality control samples. We also manufacture 

a line of contamination control 

products including sub-boiling acid stills, 

a pipette washer, and OdorEroder odor 

control products. Our newest product offering 

is a line of consumer safety compliance 

standards, which includes standards 

for use with USP 232, a RoHS/WEEE check 

standard, and extractable metals in plastic 

toys standards. Our services include shipment 

of stock items within 24–48 h from 

our Metuchen, New Jersey facility. Technical 

customer service is available Monday 

through Friday 8:00 a.m. – 5:30 p.m. EST. 

Live chat, along with our complete product 

catalog and a technical knowledge base is 

also available on our website: 

www.spexcertiprep.com. 

Facility 

Our US headquarters is located in 

Metuchen, New Jersey. All of our products 

are manufactured and shipped from this 

facility. SPEX CertiPrep, Ltd. is the 

European subsidiary of SPEX CertiPrep, 

Inc. and is located in Middlesex, England. 

Distributors located throughout the world 

extend SPEX CertiPrep’s global reach.


Teledyne Leeman Labs 


Teledyne leeman labs 

6 Wentworth Drive 

Hudson, NH 03051 

Telephone 

(603) 886-8400 

Fax 

(603) 886-9141 

e-maIl 

leemanlabsinfo@teledyne.com 

Web SITe 

www.teledyneleemanlabs.com 


60 

year Founded 

1981 


Since its founding in 1981, 

Teledyne Leeman Labs has 

been an innovator in atomic 

spectroscopy and introduced 

many concepts that are now 

considered industry standards. 

Among these was the first use 

of an Echelle spectrometer 

and the first fully automated 

mercury analyzer. 

As a leading supplier of 

instruments for elemental 

analysis, we take great pride 

in the quality and value of our products and the depth of our 

commitment to our customers. 

Key Spectroscopy Techniques Offered 

⦁ Inductively coupled plasma (ICP) spectrometers 

⦁ DC Arc spectrometers 

⦁ Mercury analysis of liquids, solids and semi solids via cold 

vapor atomic absorption or atomic fluorescence 


Leeman Lab’s products are used in applications essential to 

QA/QC, environmental analysis, research and development 

and commercial production. They are used in many industries 

including: aerospace, agriculture, automotive, beverage, biofuels, 

electronics, energy, environmental/contract labs, gas, food/food 

processing, forensics, geological, metals production, mining, 

nuclear, petrochemical, petroleum, pharmaceutical, wastewater 

and wear metals/oils. 


Inductively Coupled Plasma Spectrometers (ICP) 

Prodigy is our most powerful and versatile ICP spectrometer. 

It brings together a state of the art large format, programmable 

array detector (L-PAD) with an advanced high dispersion Echelle 

spectrometer to provide exceptional analytical performance. 

Prism delivers performance and high sample throughput 

efficiency via a simultaneous array detector especially suitable 

for QA/QC and environmental analysis applications. Our 

Profile Plus 

ICP is an excellent step up from atomic absorption 

spectrometers and a highly cost effective solution for labs with 

moderate sample load. 

Mercury Analysis 

The Hydra II family of automated mercury analyzers operate 

on the principle of cold vapor atomic absorption (CVAAS) 

spectrometry or atomic fluorescence 

(CVAFS). The Hydra II analyzers can be 

configured to perform low (ppb to ppt) to 

ultra trace (




Our growing portfolio of products includes 

innovative technologies for a multitude 

of markets including food safety, 

environmental testing, materials science, 

and pharmaceutical. 


Thermo Scientific spectroscopy instruments 

are ideal for investigative analysis 

or quality control applications. 

Spectroscopy systems are used to determine 

the molecular or elemental composition 

of a wide range of complex samples, 

including liquids, solids, and gases. We offer 

an expansive range of techniques, such 

as FT-IR, FT-NIR, infrared microsampling, 

Raman spectroscopy, AA, ICP, ICP-MS and 

ARL OES, XRD and XRF spectrometers. 


Instruments 

5225 Verona Road 

Madison, WI 53711 

Telephone 

(800) 532-4752 

Fax 

(608) 273-5046 

e-maIl 

analyze@thermofisher.com 

Web SITe 

www.thermoscientific.com 


Thermo Fisher Scientific is the world leader in serving science, 

enabling our customers to make the world healthier, 

cleaner, and safer. Our goal is to make our customers more 

productive and to enable them to solve their analytical challenges, 

from routine testing to complex research and discovery. 

We offer a wide range of products including analytical 

instruments, equipment, reagents and consumables, software, 

and services for research, analysis, discovery, and diagnostics. 

Our manufacturing sites in the United States and 

Europe provide products for customers within pharmaceutical 

and biotech companies, hospitals and clinical diagnostic 

labs, universities, research institutions, and government and 

environmental industries. 


⦁ AA 

⦁ ICP 

⦁ ICP-MS 

⦁ Combustion analyzers 

⦁ FT-IR 

⦁ FT-NIR 

⦁ UV–vis 

⦁ Raman 

⦁ EDS/WDS/EBSD 

⦁ OES 

⦁ XRD 

⦁ XRF



Waters 

Waters Corporation 

34 Maple Street 

Milford, MA 01757 

Telephone 

(508) 478-2000 

(800) 252-4752 

Fax 

(508) 872-1990 

Web SITe 

www.waters.com 


USA: 2290 

Worldwide: 5200 

year Founded 

1958 


Waters Corporation, the premium 

brand in the analytical instruments 

industry since 1958, creates business 

advantages for laboratory-dependent 

organizations by delivering practical 

and sustainable scientific innovation 

to enable significant advancements 

in such areas as: healthcare delivery, 

environmental management, food 

safety, and water quality worldwide. 

Waters helps customers make profound 

discoveries, optimize laboratory 

operations, deliver product 

performance, and ensure regulatory 

compliance by providing a connected 

portfolio of separations and analytical 

science, laboratory informatics, mass 

spectrometry, as well as thermal analysis products. 


⦁ UPLC ® –MS 

⦁ UPSFC 

⦁ LC–MS 


⦁ Informatics 

⦁ Supercritical fluid chromatography (SFC) 

⦁ Supercritical fluid extraction (SFE) 

⦁ Preparative LC 

⦁ Purification solutions 

⦁ Thermal analysis 

⦁ GC–MS 

⦁ Rheology 

⦁ Microcalorimetry 

⦁ Mycotoxin testing 

⦁ Proficiency testing 


Waters drives decision-making and improves laboratory effectiveness 

within the life sciences, pharmaceutical, environmental, 

food and beverage, agriculture, clinical, and chemical industries 

by providing the tools to improve the quality of today’s science 

and explore the infinite possibilities of tomorrow’s. 


Instruments 

⦁ ACQUITY UPLC ® systems 

⦁ ACQUITY UPLC ® H-Class systems 

⦁ ACQUITY UPLC ® I-Class systems 

⦁ nanoACQUITY UPLC ® with HDX technology 

⦁ Alliance ® HPLC systems 

⦁ Xevo ® mass spectrometers 

⦁ SYNAPT ® mass spectrometers 

⦁ PATROL UPLC ® Process Analyzer 

⦁ MassTrak Clinical Solutions 

⦁ MassTrak Forensic Solutions 

⦁ TRIZAIC UPLC ® systems 

Chemistries 

⦁ ACQUITY UPLC ® columns 

⦁ ACQUITY UPLC ® BEH Glycan columns 

⦁ ACQUITY UPLC ® CSH columns 

⦁ XSelect columns 

⦁ Viridis ® SFC columns 

⦁ XTerra ® columns 

⦁ XBridge columns 

⦁ Symmetry ® columns 

⦁ TRIZAIC UPLC nanoTile Technology 

⦁ Atlantis ® columns 

⦁ SunFire columns 

⦁ DisQuE sample extraction products 

⦁ Oasis ® sample extraction products 

⦁ Ostro sample preparation products 

⦁ TruView LCMS Certified Vials 

Informatics 

⦁ Empower chromatography software 

(21 CFR Part 11 compliant-ready) 

⦁ MassLynx MS software 

⦁ NuGenesis ® SDMS software 

Services and Support 

⦁ Empower -Driven Services 

⦁ Compliance Services (IQ,OQ,PQ) 

⦁ Waters Quality Parts ® 

⦁ Waters Global Services 

⦁ Educational Services 

Facilities 

Waters operates cGMP, ISO 13485: 2003, 

and ISO 9001-2008-certified manufacturing 

plants in Milford, Massachusetts 

(instruments and parts); Manchester, UK 

(mass spectrometers); Taunton, 

Massachusetts (chemistries); Wexford, 

Ireland (chemistries and mass spectrometers); 

Waters Milford facility is also 

approved for Part 1, Canadian Medical Device 

Regulations (CMDR). The company’s 

subsidiary, TA Instruments, Inc., is located 

in New Castle, Delaware.


WITec GmbH 


WITec alpha300 Confocal Raman 

Microscope: The alpha300 R is a Raman 

imaging system focusing on high-resolution 

as well as high-speed spectra and image 

acquisition. The acquisition time for a single 

Raman spectrum is in the range of 1 ms or 

even below; thus, a complete Raman image 

consisting of tens of thousands of spectra 

can be obtained in 1 min or less. Differences 

in chemical composition, although completely 

invisible in the optical image, will be 

apparent in the Raman image and can be 

analyzed with a resolution down to 200 nm. 

WITec Gmbh 

Main Address: 

Lise-Meitner-Str. 6, 89081 

Ulm, Germany 

WITec Instruments Corp. 

122 McCammon Ave. 

Maryville, TN 37804 

Telephone 

+49 (0) 731 140 700 

USA: (865) 984-4445 

Fax 

+49 (0) 731 140 7020 

USA: (865) 984-4441 

e-maIl 

info@witec.de 

Web SITe 

www.witec.de 


35 

year Founded 

1997 


WITec is a manufacturer of high-resolution optical and scanning 

probe microscopy solutions for scientific and industrial 

applications. A modular product line allows the combination 

of different microscopy techniques such as Raman, NSOM, or 

AFM in one instrument. The company’s product line features 

a near-field scanning optical microscope, using unique cantilever 

technology, a confocal Raman microscope designed 

for highest sensitivity and resolution, and an AFM for material 

research and nanotechnology. Focusing on innovations and 

constantly introducing new technologies, WITec is the leading 

expert for a wide variety of optical, structural, and chemical 

imaging tasks. 



⦁ Confocal Raman imaging 

⦁ Ultrafast confocal Raman imaging 

⦁ Confocal and near-field fluorescence spectroscopy 

⦁ Upgradeable with atomic force and near-field microscopy 

capabilities 


WITec products are delivered worldwide to academic and 

industrial research labs focusing on high-resolution chemical 

imaging and materials characterization. Areas of application 

for WITec’s confocal Raman imaging systems include polymer 

sciences, pharmaceutics, life science, geoscience, thin films 

and coating analysis, semiconductors, and nanotechnology. 

WITec alpha500 Automated Confocal 

Raman & Atomic Force Microscope: The 

alpha500 is an automated confocal Raman 

and atomic force microscopy system 

incorporating a motorized sample stage 

for large samples and customized multiarea/multi-point 

measurements. It allows 

nondestructive chemical imaging with 

confocal Raman microscopy as well as 

high-resolution topography imaging with 

AFM using the integrated piezo scan-stage. 

Both modes can be run fully automatically, 

guaranteeing the most comprehensive 

surface inspection possibilities for systematic 

and routine research tasks or highlevel 

quality control. 

Facilities 

WITec Headquarters is located in Ulm, 

Germany, and includes the R&D department, 

production, sales & marketing, and 

administration. WITec Instruments Corp. 

in Maryville, Tennessee, is responsible for 

North American sales and service activities.

APPLICATION NOTES – DECEMBER 2011 Mass Spectrometry 93 

Simultaneous Qualitative and 

Quantitative Analysis of 

Buspirone and Its Metabolites 

with the Agilent 6550 iFunnel 

Q-TOF LC–MS System 

Yuqin Dai, Michael Flanagan, and Keith Waddell, 


Timely and rapid assessment of metabolic stability, metabolite 

identification, and metabolite profiling is critical for accelerating 

lead optimization and enhancing the success rate of drug 

candidates entering into development. Traditionally, qualitative 

and quantitative analyses are often performed on different types 

of LC–MS instruments and in multiple runs. Te ability to obtain 

quantitation and identification (qual/quan) in a single analysis 

makes metabolic stability, metabolite identification, and metabolite 

profiling studies much more efficient. Tis note describes an 

integrated qual/quan workflow that is enabled by the sensitivity 

enhancement of iFunnel technology implementation on a quadrupole 

time-of-flight (Q-TOF) instrument. It demonstrates how Agilent 

6550 iFunnel Q-TOF permits high sensitivity, simultaneous 

determination of metabolic stability, metabolite identification, and 

metabolite profiling in an in vitro buspirone (1 μM) metabolism 

study in rat liver microsomes. 

An Integrated Qualitative/Quantitative Workflow 

Te qual/quan workflow starts with the LC–MS injection of a biological 

sample. Using the Agilent 6550 iFunnel Q-TOF LC–MS 

system, data acquisition includes a full MS scan followed by three 

data dependent auto MS-MS scans. Metabolite identification and 

structure elucidation are facilitated by MassHunter Metabolite ID 

software. Metabolic stability and metabolite profiling are established 

from the same set of data, which are processed in batch 

mode by MassHunter Quantitative Analysis software. 

Qual/Quan Analysis 

Figure 1 illustrates the metabolic stability of buspirone and the 

profiles of its metabolites, illustrating broad coverage of the high 

and low abundance metabolites across the entire 60-min time 

course. 

Figure 2 demonstrates the MS and MS-MS spectra of a buspirone 

monohydroxyl metabolite from a 10-min incubation 

sample. Te sub-ppm mass accuracy of the precursor and fragment 

ions, along with the excellent isotopic fidelity (overall score 

>99%), provided highly confident metabolite identification and 

structure elucidation. 

Normalized peak area (%) 

100 Buspirone (parent) 

90 

80 

70 

60 

50 

40 

30 

20 

10 

dihydroxy 

N-oxide 

N, N’-desethyl + O 

Incubation time (min) 

monohydroxy 

trihydroxy 

N, N’-desethyl 

1-Pyrimidinlypiperazine 

0 

0 10 20 30 40 50 60 

Figure 1: Metabolic stability of buspirone and its metabolite 

profiles. 

x10 5 

2.2 123.0918 

2 

1.8 

1.6 

1.4 

1.2 

1 

0.8 

0.6 

0.4 

0.2 

0 

x10 4 122.0713 

C6 H8 N3 

4 

3.5 

3 

2.5 

2 

1.5 

1 

0.5 

0 

0.07 ppm 

155.1539 

O 

224.1280 

150.1023 

C8 H12 N3 178.1212 238.1439 281.1859 

-2.01 ppm 

C9 H14 N4 C13 H20 N O3 C15 H25 N2 O3 

-0.39ppm 0.68 ppm -0.41 ppm 

Counts vs. Mass-to-Charge (m/z) 

MS spectrum 

MS/MS spectrum 

402.2499 

C21 H32 N5 O3 

402.2499 

120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 

Figure 2: Excellent mass accuracy in both MS and MS-MS spectra 

and isotopic fidelity. 

Conclusions 

An efficient qual/quan workflow has been developed using the 

Agilent 6550 iFunnel Q-TOF LC–MS system combined with two 

powerful software tools: MassHunter Metabolite ID and Quantitative 

Analysis. Te 6550 iFunnel Q-TOF LC–MS system enables 

the simultaneous quantitation and metabolite identification from 

1 μM buspirone incubations with sufficient sensitivity, throughput 

(run time of 3.5 min), and high analytical confidence. Tis single 

analytical platform also allows rapid generic LC–MS method development 

and eliminates the time-consuming MRM optimization 

for each analyte that is required on a triple quadrupole instrument. 

Agilent Technologies Inc. 

2315 Stevens Creek Blvd., Santa Clara, CA 95052 

tel. (800) 227-9770; Fax (302) 633-8901 

Website: www.agilent.com

94 Molecular Spectroscopy APPLICATION NOTES – DECEMBER 2011 

Long-Wavelength Dispersive 

1064 nm Raman: In-Line 

Pharmaceutical Compound 

Identification 

Clare Dentinger, Steven Pullins, and Eric Bergles, 

BaySpec, Inc. 

Increased capability for in-line pharmaceutical compound 

identification is achieved by using dispersive 

1064 nm Raman instruments. 

Current practice for in-line monitoring of pharmaceuticals 

requires that the identity of the raw material be confirmed. 

Tis confirmation is, usually, done in industry by removing a 

sample of the raw material and doing off-site analysis. In-line 

spectroscopy devices, such as Raman instruments, have the 

potential to make identifying pharmaceutical raw materials 

faster and easier. 

Raman spectroscopy is a powerful technique for compound 

identification. Te nondestructive Raman analysis produces 

compound specific spectra and enables accurate identification. 

However, many pharmaceutical materials show significant fluorescence 

when Raman spectrometers with 532 nm or 785 nm 

excitation are used (1). Tis fluorescence reduces the signal to 

the background noise ratio, can significantly increase the acquisition 

time, and reduces the number of peaks available for 

compound identification. 

New laser, optics, and detector technology originally 

developed for the telecommunications industry has allowed 

BaySpec, Inc. to develop multiple bench-top Raman instruments 

including systems with 1064 nm excitation. Te long 

excitation wavelength enables significant reduction in fluorescence 

while the deep-cooled detectors and dispersive grating, 

with no moving parts, while improving reliability for on-site 

compound identification. 

Figure 1 shows a picture of BaySpec’s 1064 nm RamSpec 

Raman instrument designed for high resolution low signal 

sensitivity. Te 1064 nm RamSpec can even measure compounds 

in containers that are opaque at visible wavelengths and can be 

identified without removing a sample from the container. Figure 

2 shows the spectra collected from a drug sample at both 

1064 nm excitation and 785 nm excitation. With the 785 nm 

excitation a large fluorescence band is seen which obscures all 

but the strongest Raman bands. However, when the 1064 nm 

excitation was used very clear Raman bands are seen and these 

bands would allow for definitive identification of the drug. 

Figure 1: BaySpec’s RamSpec 1064 nm instrument. 

200 700 1200 1700 

Raman shift (cm -1 ) 

1064 

Figure 2: Raman spectra of drug measured with 785 nm excitation 

and 1064 nm excitation wavelengths. 

Long-wavelength dispersive 1064 nm Raman instruments 

are now available from BaySpec. For more information on these 

and our complete line of spectroscopic instruments contact: 

info@bayspec.com. 

785 

Reference 

(1) M. Mathlouthi and D.V. Luu, Carbohyd. Res. 78, 225 (1980). 

BaySpec, Inc. 

1101 McKay Drive, San Jose, CA 95131 

tel. (408) 512-5928 

Website: www.bayspec.com 

Email: info@bayspec.com

APPLICATION NOTES – DECEMBER 2011 Molecular Spectroscopy 95 

60000 

Various methanol concentrations in 40% ethanol 

Determination of Low 

Concentration Methanol in 

Alcohol by an Affordable 

High Sensitivity Raman 

Instrument 

50000 

40000 

30000 

20000 

10000 

0ppm 

50ppm 

0.05 % 

0.25 % 

1.25 % 

2.5 % 

Duyen Nguyen and Eric Wu, Enwave Optronics, Inc. 

0 

250 450 650 850 1050 1250 

Raman Shift (cm -1 ) 

1450 1650 1850 

Low concentration natural methanol exists in most alcoholic 

beverages and usually causes no immediate health threat. 

Nevertheless, it is possible to have natural occurring methanol 

in beverages with concentration as high as 18 g/L of ethanol; 

or equivalent to 0.72% methanol in 40% ethanol, in alcohol 

(1). Current EU regulation limits naturally occurring methanol 

to below 10 g/L of ethanol; or equivalent to 0.4% methanol in 

40% ethanol. 

Raman spectroscopy has been shown to be an efiective tool 

in compositions analysis as well as adulteration identiTcations in 

foods (2). In the alcoholic beverage industry, the standard composition 

analysis method were more expensive and time-consuming 

gas chromatography (3). Here, we present a Raman spectroscopy 

method for a quick and lower cost alternative to verify the 

existence of low concentration methanol in alcohol. 

Experiment 

40% ethanol/water solution was prepared using 200-proof 

ethanol and distilled water. HPLC grade methanol was added 

into the 40% ethanol solution to make samples with methanol 

concentration ranging from 50 ppm to 2.5%. An Enwave 

Optronics’ ProRaman instrument with laser excitation at 785 

nm was used for the measurements. The sample solutions 

were measured in quartz cuvette in a sample holder. Figure 1 

depicts the results of the measured spectra in the fingerprint 

region of the Raman spectra. 

Partial least square (PLS) regression method was used for calibration 

and prediction model for methanol. ffe spectral region 

from 950–1200 cm -1 was chosen for developing the calibration 

model. ffe actual vs. predicted concentration value of methanol 

is shown in Figure 2. It is shown that the measured data and PLS 

prediction match very well with correlation coeflcient R 2 @ 0.997. 

Conclusion 

An afiordable, high sensitivity ProRaman instrument was used 

with PLS method to successfully analyze low concentration methanol 

in 40% alcohol. Based on our Tndings, the detection limit 

for methanol in 40% of ethanol is much better than 50 ppm and 

Figure 1: The fingerprint range spectra of the various solutions. 

Predicted value (ppm) 

24800 

19800 

14800 

9800 

4800 

-200 

reliable quantitative determination using PLS prediction could 

reach 50 ppm of methanol in 40% alcohol. 

References 

(1) F. Bindler, E. Voges, and P. Laugel, Food Addit. Contam. 5, 343–351 

(1988). 

Actual vs. Predicted concentrations of methanol in 40% ethanol 

(2) W.M. Mackenzie and R.I. Aylott, The Analyst 129, 607–612 (2004). 

(3) L.M. Reid, C.P. O’Donnell, and G. Downey, Trends in Food Science & 

Technology 17, 344–353 (2006). 

y = x + 0.0369 

R 2 = 0.997 

0 5000 10000 15000 

Actual concentration (ppm) 

20000 25000 

Figure 2: Actual and predicted methanol concentrations using 

PLS regression model. 

Enwave Optronics, Inc. 

18200 McDurmott St., Suite B, Irvine, CA 92614 

tel. (949) 955-0258; fax (949) 955-0259 

Website: www.enwaveopt.com


Optical Compensation in 

Variable Angle Transmission 

Measurements of Thick 

Samples 

(a) 

(b) 

S. L. Berets 1 and M. Milosevic 2 , 1 Harrick Scientific Products, 

Inc., and 2 MeV Consulting 

Variable angle transmission spectroscopy is used to extract Tlm 

thicknesses and refractive index data. fie sample is placed in 

the spectrometer at a known incident angle for analysis. fie infrared 

or UV–vis beam refracts through the sample in accordance to Snell’s 

Law. Consider two samples (n = 1.5), 1-mm and 10-mm thick. Radiation 

passing through these samples at a 45° incident angle will be 

offset roughly 0.5 mm and 5 mm, respectively. fiis offset radiation 

will be misaligned on the detector, reducing the measured transmittance 

regardless of sample absorption. 

fiis applications note illustrates this problem and presents the use 

of a second thickness-matched sample to refract the beam back so it is 

properly centered on the detector. 

Experimental 

fie sample investigated consisted of two pieces of 13.8-mm thick 

Plexiglas cut from the same sheet. 

fie measurements were carried out using Harrick’s Variable Angle 

Transmission Accessory in a UV–vis spectrometer with a nominally 

collimated beam. Spectra were collected from 190 nm to 900 nm 

with a full aperture and a 1-nm scan interval. Data were collected 

with either one or two samples positioned in the beam path at 0° and 

60° incident angles. fie double-transmission spectra were adjusted 

for comparison to the single-transmission data. 

Results and Discussion 

fie results are presented in Figure 2. At normal (0°) incidence, there 

is little refraction of the beam, so the measurements with and without 

compensation should simply show differences in reflectance losses. 

Assuming the samples are plane parallel, the reflectance losses on two 

plates should be roughly double that of a single plate at normal incidence. 

Here, the transmittances are nearly identical indicating that 

the surfaces are not plane parallel, so some radiation is defected away 

from the detector. 

At 60°, the transmittance of single sample shows very little radiation 

reaching the detector. A visual comparison of the white light 

beam intensity before and after the sample shows a more intense 

transmitted beam than expected for

APPLICATION NOTES – DECEMBER 2011 Molecular Spectroscopy 97 

Near Infrared Spectroscopy Is 

a Useful Tool in Photovoltaics 

Panel Development 

90 

80 

70 

Sample 1 

Sample 2 

Sample 3 

Sample 4 

Sample 5 

% Reflection: Samples with Film Side Up 

60 

Rob Morris and Andrew Tatsch, Ocean Optics 

With their modest cost, compact size and great 

fiexibility, UV-VIS-NIR miniature fiber optic spectro 

meters are attractive analytical tools for photovoltaic 

materials research and quality control. Typical 

applications include analysis of the optical properties 

of solar cell materials, spectroradiometric measurement 

of solar simulators used in panel testing and 

quality control in panel production. 

We evaluated NIR spectroscopy as a method to measure the 

refiection of photovoltaic panel materials. A manufacturer 

of thin fflm photovoltaic panels requested NIR refiectivity analysis 

of several coated glass samples. Measurements were conducted 

from 1200–2100 nm under ambient lab lighting conditions. 

Because the absorbance of photovoltaic panels is so critical, 

determining the refiectivity at panel edges and elsewhere is a 

good indicator of the light loss at those areas. Te use of antirefiective 

coatings and glass dopants are among the approaches 

manufacturers may evaluate in improving panel eflciency. 

Experimental Conditions 

Five coated glass samples were analyzed with an Ocean Optics 

NIRQuest256-2.1 Spectrometer conffgured with a 100 µm slit 

and optimized for the range from 1200–2100 nm. Te sampling 

setup comprised a tungsten halogen light source, 400 µm refiection 

probe and an optical stage. A specular refiection standard was 

used as a reference. SpectraSuite spectrometer operating software 

completed the setup. 

Te glass samples were placed on the sample holder uncoated 

side down, to ensure that the probe measured the refiection from 

the coating through the glass. Te optical stage helped to position 

the probe at 90° to measure specular refiectance. 

Measurements were taken under overhead lighting conditions. 

Te high-powered (20 W) tungsten halogen light source provided 

continuous illumination from 360–2000 nm. Te distance from 

the tip of the refiection probe to the surface of the sample was measured 

at ~7 cm for each sample, to simulate production conditions. 

Ocean Optics NIR Spectrometers use a high-performance 

InGaAs-array detector in a compact optical bench with thermoelectric 

cooler and low-noise electronics. Te NIRQuest256-2.1 is 

suited to applications involving higher wavelengths (peak responsivity 

is ~1900 nm). Te spectrometer’s rapid integration times — 

% Reflection (relative) 

50 

40 

30 

20 

10 

0 

1250 1350 1450 1550 1650 

Wavelength (nm) 

1750 1850 1950 2050 

Figure 1: NIR specular refiection of photovoltaic materials (coated 

glass samples). 

spectral acquisition of 1 ms is possible — makes it viable for high 

volume production environments. 

Results 

Te measurements showed good stability with no averaging and 

boxcar smoothing. Te refiection spectra for the samples (Figure 1) 

demonstrated that refiection values increased as a function of wavelength 

comparably across all ffve samples, peaking at about 2000 nm. 

Also, the gap between the least refiective and most refiective samples 

was relatively narrow at the lower and upper ranges of the wavelength 

range, with the greatest variation observed near 1700 nm. 

Refiectance intensity of the coated samples ranged from ~25% 

at the lower wavelengths to as much as 80% at the higher wavelengths. 

Tese values are relative to the response of the specular 

refiectance standard, which has nearly “fiat” refiectivity across all 

NIR wavelengths. 

Conclusions 

As developers of photovoltaic materials seek improvement in cell 

eflciency, the need for convenient analytical tools to evaluate glass 

coatings, dopants and other materials is great. Optical sensing systems 

such as NIR spectrometers, thin fflm measurement systems and solar 

simulator testing units are easily conffgured for both research lab and 

process line applications. 

NIR spectroscopy can be used to determine the specular refiectivity 

of coated glass samples relative to each other and to known refiectance 

standards. As a result, the solar light capturing eflciency of 

the ffve sample coatings now can be inferred with the utilized Ocean 

Optics spectrometer and accessories. 

Ocean Optics, Inc. 

830 Douglas Ave., Dunedin, FL 34698 

tel. (727) 733-2447; Fax (727) 733-3962 

Website: www.oceanoptics.com; Email: info@oceanoptics.com


Mid-Infrared Refiectivity Measurements of 

Diffuse Materials 

Jenni L. Briggs, PIKE Technologies 

The approach to infrared measurements of diffusely 

scattering materials often is dictated by the objective 

of the analysis. Spectral data from three different 

mid-infrared refiectance sampling accessories are 

contrasted. 

100 

95 

90 

85 

80 

75 

70 

Infrared analysis of highly scattering or textured samples is often 

accomplished via diffuse refiectance sampling accessories. 

Among two of the most popular diffuse refiectance accessories 

are the confocal ellipsoidal mirror design, which results in only a 

fraction of the refiected light being collected, and the integrating 

sphere design (1). Te speciflc accessory used for the measurement 

will be determined by the information desired. Te aim of 

this application note is to compare mid-infrared spectral data of 

a diffuse sample obtained by using various refiection accessories. 

Experimental Conditions 

A powdered coated metal panel was analyzed using the PIKE 

UpIR , a diffuse refiection accessory with an ellipsoidal collection 

mirror, or the PIKE mid-infrared IntegratIR , a 

gold-coated integrating sphere equipped with a liquid nitrogen 

cooled MCT detector. Te sampling surface of the UpIR 

is positioned above the FT-IR making it ideal for analyzing 

large samples. Additionally, a spectrum was collected using a 

10 o specular refiection accessory. Te background and sample 

collection time was 20 s, and the resolution was set to 4 cm -1 . 

Results 

All spectra are shown in Figure 1. Te spectrum of the powdered 

coated sample collected with the 10° specular refiection 

accessory resulted in refiectivity values near 1% and minimal 

chemical information is discernable due to the diffuse characteristic 

of this sample. Only the specular component refiecting at 

the angle equivalent to the angle of incidence, 10° in this case, 

is collected. Specular refiection accessories are appropriate for 

specular samples such as mirrors, optical windows, and coatings 

on refiective surfaces. 

Chemical information from a high quality spectrum is obtained 

from the ellipsoidal collection mirror (UpIR) and the integrating 

sphere accessory. Terefore, either accessory is suitable for 

this purpose. Te refiectivity measurements were different; at 4000 

cm -1 65% refiectivity was measured using the integrating sphere 

while the refiectivity of the sample collected using the UpIR was 

93%. However, only the integrating sphere accessory produces re- 

% Reflectance 

65 

60 

55 

50 

45 

40 

35 

30 

25 

20 

15 

10 

5 

0 

4000 3500 3000 2500 2000 1500 1000 500 


Figure 1: Spectrum of painted panel obtained using an elliptical 

collection type accessory (shown in purple), an integrating 

sphere ( shown in blue), and a 10 o specular refiection accessory 

(shown in red). 

liable refiectivity data because it is able to collect close to the entire 

available hemispherical (2π steradians) scattered photons. 

Te integrating sphere has a highly refiective, close to a Lambertian 

surface, such that the light enters the sphere, bounces 

around the highly refiective diffuse surface of the sphere wall, 

and flnally impinges upon the detector. In addition to refiectivity 

measurements as described here, the PIKE IntegratIR may be 

used for diffuse transmission measurements. Despite the 100 year 

history of the sphere, new applications are continually developed. 

Conclusions 

For refiectivity measurements of diffuse samples, using an integrating 

sphere is preferred, whereas for obtaining only chemical 

information a ellipsoidal mirror design diffuse refiection 

accessory is adequate. 

References 

(1) L.M. Hanssen and K.A. Snail, Handbook of Vibrational Spectroscopy, Chalmers 

and Griffiths, Eds. (2002). 

PIKE Technologies 

6125 Cottonwood Drive, Madison, WI 53719 

tel. (608) 274-2721; fax (608) 274-0103 

Website: www.PIKEtech.com

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2012 Corporate Capabilities - Spectroscopy

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